Chem
J-GLOBAL ID：200907063159094091   Nikkaji number：J282.023D

Maytansine

メイタンシン
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： C34H46ClN3O10
Molecular formula furigana： C34-H46-CL-N3-O10
Molecular weight： 692.200
InChI： InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10-,18-11-/t19-,20+,25+,26-,27?,30+,33+,34+/m1/s1
InChI key： WKPWGQKGSOKKOO-UDVKTXPOSA-N
SMILES： CO[C@@H]1/C=C\C=C(\C)/Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)CC(OC(=O)[C@H](C)N(C)C(=O)C)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2
Systematic name  (4)：
  • メイタンシン
  • マイタンシン
  • (1S,2R,3S,5S,16Z,18Z,20R,21S)-11-クロロ-21-ヒドロキシ-12,20-ジメトキシ-2,5,9,16-テトラメチル-8,23-ジオキソ-4,24-ジオキサ-9,22-ジアザテトラシクロ[19.3.1.110,14.03,5]ヘキサコサ-10(26),11,13,16,18-ペンタエン-6-イル (2S)-2-(N-メチルアセトアミド)プロパノアート
  • (1S,2R,3S,5S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-(N-methylacetamido)propanoate
Other name (1)：
  • Maytansine
CAS registry number： 35846-53-8
Regulation number (1)：
  • EINECS2527547
KEGG DRUG： D04864
KEGG COMPOUND： C10606
Application (1)：
antitumor drug
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