Ancitabine Hydrochloride

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  • Identifiers

    CAS number
    10212-25-6

    Molecular formula
    C9H12ClN3O4

    SMILES
    C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=N.Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 74.96%
    Roasted 21.67%
    Nutty 21.19%
    Savory 20.65%
    Meaty 20.2%
    Popcorn 19.63%
    Cooked 17.95%
    Bitter 17.58%
    Burnt 16.73%
    Sweet 16.39%

     

    Flavor
    Bitter 85.32%
    Odorless 29.06%
    Bland 23.51%
    Sweet-like 23.26%
    Cedarleaf 19.43%
    Bread crust 18.9%
    Alkaline 18.84%
    Cereal 18.72%
    Scallion 18.3%
    Nitrile 18.29%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.36 (weak acid)

    Molecular weight
    261.66 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    1184°C

    Flash point

    • 280.16 ˚C est.

    Solubility expt.

    • H2O 200 ( mg/mL)
    • EtOAc < 0.1 ( mg/mL)
    • CHC13 < 0.1 ( mg/mL)

  • Synonyms

    • Cyclocytidine hydrochloride
    • 10212-25-6
    • ANCITABINE HYDROCHLORIDE
    • 2,2'-O-Cyclocytidine hydrochloride
    • 2,2'-Cyclocytidine hydrochloride
    • Cyclocytidine HCl
    • ancitabine HCl
    • 2,2'-Anhydrocytidine hydrochloride
    • 2,2'-Anhydrocytarabine hydrochloride
    • 2,2'-Anhydroaracytidine hydrochloride
    • NSC-145668
    • 2,2'-Anhydroarabinosylcytosine hydrochloride
    • 3T6920M469
    • CHEBI:74843
    • CycloCMP hydrochloride
    • Ancytabine Hydrochloride
    • Ancid
    • RefChem:915805
    • U-33, 624A
    • 233-515-6
    • 6H-furo(2',3':4,5)oxazolo(3,2-a)pyrimidine-2-methanol,2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-,(2R(2alpha,3beta,3a beta,9a beta))
    • (-)-Cyclocytidine hydrochloride
    • OCTD hydrochloride
    • Ancitabin hydrochlorid
    • Cyclo-cmp hydrochloride
    • MFCD00012636
    • Ancitabine hydrochloride [JAN]
    • (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-3,3a,6,9a-tetrahydro-2H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-ol hydrochloride
    • 2,2'-Anhydro-1-beta-D-arabinofuranosylcytosine hydrochloride
    • Ancitabine (hydrochloride)
    • (2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol;hydrochloride
    • Ancitabine hydrochloride (JAN)
    • MLS001173324
    • Ancitabin HCl
    • Ancitabin hydrochloride
    • SMR000538927
    • EINECS 233-515-6
    • 2,2'-Cyclocytidine, monohydrochloride
    • NSC 145668
    • O-2,2'-Cyclocytidine monohydrochloride
    • UNII-3T6920M469
    • 2,2'-Anhydro-1-ss-D-arabinofuranosylcytosine HCl; 2,2'-O-Cyclocytidine HCl; Ancitabine HCl; Cyclo-CMP HCl
    • 2,2'-Anhydro-1beta-D-arabinofuranosylcytosine hydrochloride
    • 1beta-D-Arabinofuranosylcytosine, 2,2'-anhydro-, hydrochloride
    • 1-beta-D-Arabinofuranosylcytosine, 2,2'-anhydro-, hydrochloride
    • Cytosine, 1-beta-D-arabinofuranosyl-2,2'-anhydro-, hydrochloride
    • Cytosine, 1beta-D-arabinofuranosyl-2,2'-anhydro-, hydrochloride
    • 2,2'-Anhydrocytidine HCl
    • SCHEMBL98180
    • MLS000766878
    • MLS001032024
    • MLS006011603
    • orb1308083
    • 2,2'-Anhydro-D-cytidine HCl
    • NSC 145668 HCl
    • CHEMBL1255937
    • HY-N0093
    • 2,2'-cyclocytidine monohydrochloride
    • ANCITABINE HYDROCHLORIDE [MI]
    • EBC-17041
    • s1973
    • AKOS015896930
    • AC-8697
    • CCG-267066
    • CS-5313
    • NA01967
    • ANCITABINE HYDROCHLORIDE [MART.]
    • ANCITABINE HYDROCHLORIDE [WHO-DD]
    • 6H-Furo(2',3':4,5)oxazolo(3,2-a)-pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, monohydrochloride, stereoisomer
    • 6H-Furo(2',3':4,5)oxazolo(3,2-a)pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, monohydrochloride, (2R-(2alpha,3beta,3abeta,9abeta))-
    • AS-12870
    • SY069747
    • TL8000113
    • D01651
    • 2,2'-Anhydro-b-D-arabinofuranosyl cytosine HCl
    • EN300-7400814
    • 698C143
    • Q27144957
    • Ancitabine Hydrochloride(Discontinued,See C4X-200519)
    • Z2044737748
    • 2,2'-anhydro-(1-beta-D-arabinofuranosylcytosine) hydrochloride
    • 2,2'-anhydro-1-(beta-D-arabinofuranosyl)cytosine hydrochloride
    • (2R,3R,3AS,9AR)-2,3,3A,9A-TETRAHYDRO-3-HYDROXY-6-IMINO-6H-FURO(2',3';4,5)OXAZOLO(3,2-A)PYRIMIDINE-2-METHANOL, HYDROCHLORIDE
    • (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol hydrochloride
    • (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol
    • (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-3,3a,6,9a-tetrahydro-2H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-olhydrochloride
    • (2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.0(2)]dodeca-8,11-dien-5-ol;hydrochloride
    • (2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.0,2,6]dodeca-8,11-dien-5-ol hydrochloride
    • 10212-25-6

  • Applications

    Ancitabine Hydrochloride, CAS 10212-25-6, is primarily used as an active pharmaceutical ingredient in cancer chemotherapy, acting as a nucleoside cytidine analog. It is also viewed as a synthetic intermediate or precursor for cytidine and other nucleotide derivatives and related nucleoside analogs. In drug development, it serves as starting material or intermediate for the preparation of nucleotides and cytidine analogs. In pharmaceutical manufacturing and formulation development workflows, it may be used as a reference or reagent for analytical procedures and for preparing related compounds in research settings. These applications depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.54
    methanol 65.74
    isopropanol 13.51
    water 79.44
    ethyl acetate 7.37
    n-propanol 12.89
    acetone 15.11
    n-butanol 13.2
    acetonitrile 11.99
    DMF 318.9
    toluene 1.23
    isobutanol 8.95
    1,4-dioxane 19.31
    methyl acetate 9.03
    THF 41.7
    2-butanone 10.17
    n-pentanol 8.9
    sec-butanol 9.45
    n-hexane 0.19
    ethylene glycol 90.11
    NMP 238.78
    cyclohexane 0.72
    DMSO 396.31
    n-butyl acetate 8.12
    n-octanol 5.0
    chloroform 4.2
    n-propyl acetate 7.91
    acetic acid 178.67
    dichloromethane 6.64
    cyclohexanone 30.11
    propylene glycol 52.28
    isopropyl acetate 6.03
    DMAc 240.5
    2-ethoxyethanol 72.8
    isopentanol 12.26
    n-heptane 0.79
    ethyl formate 26.15
    1,2-dichloroethane 5.22
    n-hexanol 8.65
    2-methoxyethanol 152.76
    isobutyl acetate 4.62
    tetrachloromethane 1.48
    n-pentyl acetate 6.52
    transcutol 63.94
    n-heptanol 7.22
    ethylbenzene 0.88
    MIBK 7.57
    2-propoxyethanol 48.75
    tert-butanol 13.25
    MTBE 2.84
    2-butoxyethanol 30.53
    propionic acid 32.2
    o-xylene 1.74
    formic acid 564.84
    diethyl ether 2.86
    m-xylene 1.58
    p-xylene 1.51
    chlorobenzene 1.87
    dimethyl carbonate 18.94
    n-octane 0.4
    formamide 461.38
    cyclopentanone 44.81
    2-pentanone 9.5
    anisole 3.66
    cyclopentyl methyl ether 9.83
    gamma-butyrolactone 75.01
    1-methoxy-2-propanol 84.93
    pyridine 16.49
    3-pentanone 6.15
    furfural 94.37
    n-dodecane 0.31
    diethylene glycol 105.33
    diisopropyl ether 1.33
    tert-amyl alcohol 10.92
    acetylacetone 18.1
    n-hexadecane 0.34
    acetophenone 10.35
    methyl propionate 12.83
    isopentyl acetate 8.13
    trichloroethylene 10.56
    n-nonanol 5.12
    cyclohexanol 12.51
    benzyl alcohol 11.89
    2-ethylhexanol 5.54
    isooctanol 6.04
    dipropyl ether 4.28
    1,2-dichlorobenzene 2.61
    ethyl lactate 24.19
    propylene carbonate 40.99
    n-methylformamide 166.95
    2-pentanol 6.44
    n-pentane 0.34
    1-propoxy-2-propanol 28.49
    1-methoxy-2-propyl acetate 17.95
    2-(2-methoxypropoxy) propanol 29.28
    mesitylene 1.31
    ε-caprolactone 36.01
    p-cymene 2.15
    epichlorohydrin 39.38
    1,1,1-trichloroethane 2.5
    2-aminoethanol 69.33
    morpholine-4-carbaldehyde 170.97
    sulfolane 148.97
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 14.21
    n-hexyl acetate 7.05
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 34.69
    sec-butyl acetate 4.5
    tert-butyl acetate 6.53
    decalin 0.33
    glycerin 163.81
    diglyme 62.11
    acrylic acid 58.19
    isopropyl myristate 3.61
    n-butyric acid 37.64
    acetyl acetate 8.4
    di(2-ethylhexyl) phthalate 8.26
    ethyl propionate 6.88
    nitromethane 163.15
    1,2-diethoxyethane 7.64
    benzonitrile 10.85
    trioctyl phosphate 7.21
    1-bromopropane 1.82
    gamma-valerolactone 107.04
    n-decanol 4.01
    triethyl phosphate 9.42
    4-methyl-2-pentanol 5.22
    propionitrile 7.77
    vinylene carbonate 41.03
    1,1,2-trichlorotrifluoroethane 105.44
    DMS 9.32
    cumene 1.02
    2-octanol 3.96
    2-hexanone 6.83
    octyl acetate 5.61
    limonene 2.92
    1,2-dimethoxyethane 51.68
    ethyl orthosilicate 7.29
    tributyl phosphate 7.49
    diacetone alcohol 24.46
    N,N-dimethylaniline 4.95
    acrylonitrile 18.36
    aniline 6.08
    1,3-propanediol 76.73
    bromobenzene 1.31
    dibromomethane 3.14
    1,1,2,2-tetrachloroethane 8.85
    2-methyl-cyclohexyl acetate 8.9
    tetrabutyl urea 12.26
    diisobutyl methanol 3.91
    2-phenylethanol 11.33
    styrene 0.91
    dioctyl adipate 8.13
    dimethyl sulfate 58.46
    ethyl butyrate 9.02
    methyl lactate 52.09
    butyl lactate 16.12
    diethyl carbonate 8.21
    propanediol butyl ether 31.69
    triethyl orthoformate 8.78
    p-tert-butyltoluene 1.96
    methyl 4-tert-butylbenzoate 15.2
    morpholine 37.38
    tert-butylamine 4.25
    n-dodecanol 3.1
    dimethoxymethane 54.35
    ethylene carbonate 30.2
    cyrene 52.69
    2-ethoxyethyl acetate 10.67
    2-ethylhexyl acetate 5.9
    1,2,4-trichlorobenzene 4.23
    4-methylpyridine 11.74
    dibutyl ether 2.81
    2,6-dimethyl-4-heptanol 3.91
    DEF 38.77
    dimethyl isosorbide 39.97
    tetrachloroethylene 7.42
    eugenol 21.05
    triacetin 14.32
    span 80 21.56
    1,4-butanediol 42.29
    1,1-dichloroethane 2.27
    2-methyl-1-pentanol 8.03
    methyl formate 102.58
    2-methyl-1-butanol 10.38
    n-decane 0.47
    butyronitrile 9.43
    3,7-dimethyl-1-octanol 4.8
    1-chlorooctane 1.36
    1-chlorotetradecane 0.74
    n-nonane 0.44
    undecane 0.37
    tert-butylcyclohexane 0.23
    cyclooctane 0.4
    cyclopentanol 18.12
    tetrahydropyran 8.98
    tert-amyl methyl ether 3.61
    2,5,8-trioxanonane 48.24
    1-hexene 0.63
    2-isopropoxyethanol 30.83
    2,2,2-trifluoroethanol 103.73
    methyl butyrate 13.33

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction