Chem
J-GLOBAL ID:200907067833651649
Nikkaji number:J114.616E
Anhydrotetracycline
アンヒドロテトラサイクリン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C22 H22 N2 O7
Molecular formula furigana:
C22-H22-N2-O7
Molecular weight:
426.425
InChI:
InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1
InChI key:
CXCVEERYMJZMMM-DOCRCCHOSA-N
SMILES:
CN(C)[C@H]1[C@@H]2Cc3c(C)c4cccc(O)c4c(O)c3C(=O)[C@]2(O)C(=O)C(=C1O)C(=O)N
Systematic name (6):
(4S)-2-カルバモイル-4aβ,12a-ジヒドロ-3,10,11,12aβ-テトラヒドロキシ-6-メチル-4β-(ジメチルアミノ)-1,12(4H,5H)-ナフタセンジオン
(4S)-4β-ジメチルアミノ-1,4,4aβ,5,12,12a-ヘキサヒドロ-3,10,11,12aβ-テトラヒドロキシ-6-メチル-1,12-ジオキソ-2-ナフタセンカルボアミド
3,10,11,12aβ-テトラヒドロキシ-4β-(ジメチルアミノ)-6-メチル-1,12-ジオキソ-1,4,4aβ,5,12,12a-ヘキサヒドロナフタセン-2-カルボアミド
(1S)-1α-(ジメチルアミノ)-2,4aα,6,7-テトラヒドロキシ-4,5-ジオキソ-11-メチル-1,4a,12,12aα-テトラヒドロナフタセン-3-カルボアミド
(4S,4aS,12aS)-4-(ジメチルアミノ)-3,10,11,12a-テトラヒドロキシ-6-メチル-1,12-ジオキソ-1,4,4a,5,12,12a-ヘキサヒドロテトラセン-2-カルボキサミド
(4S,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
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Other name (7):
Anhydrotetracycline
(4S)-Anhydrotetracycline
(4S)-アンヒドロテトラサイクリン
アンヒドロテトラサイクリン
(4S)-4β-Dimethylamino-1,4,4aβ,5,12,12a-hexahydro-3,10,11,12aβ-tetrahydroxy-6-methyl-1,12-dioxo-2-naphthacenecarboxamide
3,10,11,12aβ-Tetrahydroxy-4β-(dimethylamino)-6-methyl-1,12-dioxo-1,4,4aβ,5,12,12a-hexahydronaphthacene-2-carboxamide
(1S)-1α-(Dimethylamino)-2,4aα,6,7-tetrahydroxy-4,5-dioxo-11-methyl-1,4a,12,12aα-tetrahydronaphthacene-3-carboxamide
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CAS registry number:
1665-56-1
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