Chem
J-GLOBAL ID:200907008377610700
Nikkaji number:J7.848D
Meclocycline
メクロサイクリン
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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 H21 ClN2 O8
Molecular formula furigana:
C22-H21-CL-N2-O8
Molecular weight:
476.870
InChI:
InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26,28-30,33H,1H2,2-3H3,(H2,24,32)/t10-,14-,15+,17+,22+/m1/s1
InChI key:
GGQJXCQBBONZFX-IWVLMIASSA-N
SMILES:
CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N
Systematic name (5):
(4S)-7-クロロ-4β-ジメチルアミノ-1,4,4aβ,5,5aβ,6,11,12a-オクタヒドロ-3,5β,10,12,12aβ-ペンタヒドロキシ-6-メチレン-1,11-ジオキソ-2-ナフタセンカルボアミド
(4S,4aR,5S,5aR,12aS)-7-クロロ-4-(ジメチルアミノ)-1,4,4a,5,5a,6,11,12a-オクタヒドロ-3,5,10,12,12a-ペンタヒドロキシ-6-メチレン-1,11-ジオキソ-2-ナフタセンカルボキサミド
(4S)-4β-(ジメチルアミノ)-1,4,4aβ,5,5aβ,6,11,12a-オクタヒドロ-3,5β,10,12,12aβ-ペンタヒドロキシ-6-メチレン-7-クロロ-1,11-ジオキソ-2-ナフタセンカルボアミド
(4S,4aR,5S,5aR,12aS)-7-クロロ-4-(ジメチルアミノ)-3,5,10,12,12a-ペンタヒドロキシ-6-メチリデン-1,11-ジオキソ-1,4,4a,5,5a,6,11,12a-オクタヒドロテトラセン-2-カルボキサミド
(4S,4aR,5S,5aR,12aS)-7-chloro-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylidene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Other name (7):
メクロシクリン
GS-2989
NSC-78502
Meclocycline
(4S,4aR,5S,5aR,12aS)-7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide
メクロサイクリン
(4S)-4β-(Dimethylamino)-1,4,4aβ,5,5aβ,6,11,12a-octahydro-3,5β,10,12,12aβ-pentahydroxy-6-methylene-7-chloro-1,11-dioxo-2-naphthacenecarboxamide
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CAS registry number:
2013-58-3
Regulation number (1):
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