2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aS,5aS,6S,12aS)-

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  • Identifiers

    CAS number
    64-75-5

    Molecular formula
    C22H25ClN2O8

    SMILES
    C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl

  • Odor profile

    Fragrance
    Odorless 71.84%
    Sweet 32.45%
    Cooling 21.84%
    Savory 20.94%
    Bitter 20.9%
    Milky 18.46%
    Burnt 17.44%
    Spicy 17.24%
    Phenolic 15.42%
    Balsamic 14.94%

     

    Flavor
    Bitter 88.01%
    Odorless 34.93%
    Bland 25.14%
    Sweet-like 21.37%
    Very mild 20.73%
    Cedarleaf 20.07%
    Nitrile 19.03%
    Lovage 18.83%
    Leaves 18.45%
    Basil 18.39%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    6.45 (neutral)

    Molecular weight
    480.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1878°C

    Flash point

    • 294.01 ˚C est.

  • Synonyms

    • TETRACYCLINE HYDROCHLORIDE
    • 64-75-5
    • Tetracycline HCl
    • Achromycin hydrochloride
    • Bristacycline
    • Sustamycin
    • Tetracycline.HCl
    • Cyclopar
    • Sumycin
    • Tetracycline (hydrochloride)
    • Achromycin V
    • Neocycline b
    • Vetquamycin 324
    • Achromycin
    • MFCD00078142
    • Supramycin
    • Telotrex
    • Tetracycline chloride
    • NSC-757338
    • Quatrex
    • DTXSID6021321
    • P6R62377KV
    • Dumocyclin
    • (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride
    • 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride,(4S,4aS,5aS,6S,12aS)-
    • 64-75-5 (HCl)
    • (4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride
    • DTXCID701321
    • Hostacycline
    • Mephacyclin
    • Quadracycline
    • Remicyclin
    • Stilciclina
    • Tetrabakat
    • Tetracompren
    • Tetralution
    • Tetramavan
    • Topicycline
    • Triphacyclin
    • Actisite
    • Artomycin
    • Diacycine
    • Partrex
    • Piracaps
    • Ricycline
    • Subamycin
    • Tefilin
    • Tetrabid
    • Tetrablet
    • Tetracaps
    • Tetrakap
    • Tetramed
    • Tetrosol
    • Paltet
    • Qidtet
    • Retet
    • Teline
    • Unicin
    • Tetra-wedel
    • Neocyclin B
    • Ro-Cycline
    • TetraSURE
    • Tet-cy
    • Tetra-D
    • Vetquamycin-324
    • Cancycline-250
    • (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
    • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aS,5aS,6S,12aS)-
    • Cefracycline tablets
    • Panmycin hydrochloride
    • Sentry av ornacycline
    • T-250 Capsules
    • Tetracyn hydrochloride
    • Tetraciclina cloridrato
    • ALA TET
    • Chlorowodorku tetracykliny
    • Chlorhydrate de tetracycline
    • UNII-P6R62377KV
    • CCRIS 2351
    • SR-01000000212
    • SR-05000001723
    • (-)-Tetrahcycline hydrochloride
    • Tetracycline hydrochloride [JAN]
    • Tetraciclina cloridrato [Italian]
    • NCI-C55561
    • Achromycin;Tetracyn
    • Chlorowodorku tetracykliny [Polish]
    • Prestwick_434
    • EINECS 200-593-8
    • Bristacycline (TN)
    • Chlorhydrate de tetracycline [French]
    • Tetracycline hydrochloride [USP:JAN]
    • Tetracycline hydrochloride (internal use)
    • AI3-50120
    • CAS-64-75-5
    • NCGC00016291-01
    • Tetracyclini hydrochloridum
    • EC 200-593-8
    • U-5965
    • SCHEMBL34248
    • SPECTRUM1500566
    • CHEMBL454950
    • NCI-c55561;Tetracycline HCl
    • HY-B0474R
    • Tetracycline hydrochloride - USP
    • Tetracycline hydrochloride, powder
    • XMEVHPAGJVLHIG-FMZCEJRJSA-N
    • HMS1568K22
    • HMS1921C19
    • Pharmakon1600-01500566
    • HY-B0474
    • Tox21_110355
    • Tox21_200516
    • CCG-39267
    • NSC757338
    • s2574
    • AKOS015951263
    • Tox21_110355_1
    • BCP9000227
    • KS-1431
    • NSC 757338
    • Tetracycline hydrochloride (JP18/USP)
    • TETRACYCLINE HYDROCHLORIDE [MI]
    • Tetracycline (hydrochloride) (Standard)
    • NCGC00017323-08
    • NCGC00180907-01
    • NCGC00180907-02
    • NCGC00258070-01

  • Applications

    The compound 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aS,5aS,6S,12aS)-, CAS 64-75-5 is a polycyclic amide-containing scaffold that may be encountered in pharmaceutical research and related disciplines; it may be evaluated as an intermediate or pharmacophore candidate for anticancer and antibiotic discovery, and the hydrochloride salt form supports aqueous solubility and in vitro testing. It may also serve as a synthetic building block for exploring structure-activity relationships in tetracyclic/polycyclic amide chemistries, and may act as a research reagent or reference material in analytical chemistry and chemical biology studies. Additionally, formulation work and SAR investigations may consider this salt, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.69
    methanol 3.25
    isopropanol 0.14
    water 0.04
    ethyl acetate 0.22
    n-propanol 0.37
    acetone 0.19
    n-butanol 0.19
    acetonitrile 0.32
    DMF 5.48
    toluene 0.07
    isobutanol 0.12
    1,4-dioxane 1.35
    methyl acetate 0.36
    THF 3.35
    2-butanone 0.34
    n-pentanol 0.2
    sec-butanol 0.1
    n-hexane 0.02
    ethylene glycol 2.03
    NMP 13.17
    cyclohexane 0.02
    DMSO 10.37
    n-butyl acetate 0.24
    n-octanol 0.06
    chloroform 0.34
    n-propyl acetate 0.26
    acetic acid 2.24
    dichloromethane 0.41
    cyclohexanone 0.89
    propylene glycol 0.8
    isopropyl acetate 0.09
    DMAc 5.82
    2-ethoxyethanol 2.58
    isopentanol 0.1
    n-heptane 0.01
    ethyl formate 0.57
    1,2-dichloroethane 0.32
    n-hexanol 0.19
    2-methoxyethanol 6.16
    isobutyl acetate 0.09
    tetrachloromethane 0.08
    n-pentyl acetate 0.15
    transcutol 0.84
    n-heptanol 0.15
    ethylbenzene 0.07
    MIBK 0.1
    2-propoxyethanol 2.89
    tert-butanol 0.08
    MTBE 0.03
    2-butoxyethanol 1.2
    propionic acid 0.62
    o-xylene 0.06
    formic acid 11.41
    diethyl ether 0.14
    m-xylene 0.05
    p-xylene 0.08
    chlorobenzene 0.07
    dimethyl carbonate 0.94
    n-octane 0.01
    formamide 10.19
    cyclopentanone 2.22
    2-pentanone 0.2
    anisole 0.17
    cyclopentyl methyl ether 0.44
    gamma-butyrolactone 4.32
    1-methoxy-2-propanol 1.91
    pyridine 1.35
    3-pentanone 0.24
    furfural 3.92
    n-dodecane 0.0
    diethylene glycol 5.08
    diisopropyl ether 0.02
    tert-amyl alcohol 0.07
    acetylacetone 0.3
    n-hexadecane 0.0
    acetophenone 0.37
    methyl propionate 0.57
    isopentyl acetate 0.15
    trichloroethylene 0.73
    n-nonanol 0.06
    cyclohexanol 0.15
    benzyl alcohol 0.38
    2-ethylhexanol 0.08
    isooctanol 0.08
    dipropyl ether 0.17
    1,2-dichlorobenzene 0.1
    ethyl lactate 0.6
    propylene carbonate 0.96
    n-methylformamide 4.59
    2-pentanol 0.06
    n-pentane 0.01
    1-propoxy-2-propanol 0.88
    1-methoxy-2-propyl acetate 0.59
    2-(2-methoxypropoxy) propanol 0.6
    mesitylene 0.03
    ε-caprolactone 1.09
    p-cymene 0.04
    epichlorohydrin 2.92
    1,1,1-trichloroethane 0.08
    2-aminoethanol 1.88
    morpholine-4-carbaldehyde 8.38
    sulfolane 9.93
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.58
    n-hexyl acetate 0.1
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.77
    sec-butyl acetate 0.09
    tert-butyl acetate 0.08
    decalin 0.01
    glycerin 4.59
    diglyme 1.75
    acrylic acid 1.5
    isopropyl myristate 0.04
    n-butyric acid 0.45
    acetyl acetate 0.15
    di(2-ethylhexyl) phthalate 0.14
    ethyl propionate 0.29
    nitromethane 3.56
    1,2-diethoxyethane 0.19
    benzonitrile 0.28
    trioctyl phosphate 0.11
    1-bromopropane 0.11
    gamma-valerolactone 6.15
    n-decanol 0.04
    triethyl phosphate 0.22
    4-methyl-2-pentanol 0.03
    propionitrile 0.35
    vinylene carbonate 1.2
    1,1,2-trichlorotrifluoroethane 6.68
    DMS 0.33
    cumene 0.04
    2-octanol 0.05
    2-hexanone 0.28
    octyl acetate 0.07
    limonene 0.04
    1,2-dimethoxyethane 2.86
    ethyl orthosilicate 0.17
    tributyl phosphate 0.09
    diacetone alcohol 0.45
    N,N-dimethylaniline 0.18
    acrylonitrile 0.94
    aniline 0.21
    1,3-propanediol 1.58
    bromobenzene 0.05
    dibromomethane 0.2
    1,1,2,2-tetrachloroethane 0.52
    2-methyl-cyclohexyl acetate 0.21
    tetrabutyl urea 0.21
    diisobutyl methanol 0.03
    2-phenylethanol 0.38
    styrene 0.06
    dioctyl adipate 0.09
    dimethyl sulfate 2.69
    ethyl butyrate 0.23
    methyl lactate 1.72
    butyl lactate 0.33
    diethyl carbonate 0.19
    propanediol butyl ether 0.61
    triethyl orthoformate 0.23
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 0.38
    morpholine 2.39
    tert-butylamine 0.03
    n-dodecanol 0.03
    dimethoxymethane 2.56
    ethylene carbonate 0.82
    cyrene 2.65
    2-ethoxyethyl acetate 0.35
    2-ethylhexyl acetate 0.14
    1,2,4-trichlorobenzene 0.17
    4-methylpyridine 0.48
    dibutyl ether 0.04
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.85
    dimethyl isosorbide 1.79
    tetrachloroethylene 0.63
    eugenol 0.62
    triacetin 0.26
    span 80 0.48
    1,4-butanediol 0.66
    1,1-dichloroethane 0.07
    2-methyl-1-pentanol 0.11
    methyl formate 2.97
    2-methyl-1-butanol 0.11
    n-decane 0.01
    butyronitrile 0.22
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.37
    tetrahydropyran 0.42
    tert-amyl methyl ether 0.05
    2,5,8-trioxanonane 1.17
    1-hexene 0.07
    2-isopropoxyethanol 0.76
    2,2,2-trifluoroethanol 1.92
    methyl butyrate 0.42

    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