Chem
J-GLOBAL ID：200907046611863284   Nikkaji number：J20.817E

Vinglycinate

ビングリシナート
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： C48H63N5O9
Molecular formula furigana： C48-H63-N5-O9
Molecular weight： 854.058
InChI： InChI=1S/C48H63N5O9/c1-9-44(57)24-29-25-47(42(55)60-7,38-31(16-20-52(26-29)28-44)30-14-11-12-15-34(30)49-38)33-22-32-35(23-36(33)59-6)51(5)40-46(32)18-21-53-19-13-17-45(10-2,39(46)53)41(48(40,58)43(56)61-8)62-37(54)27-50(3)4/h11-15,17,22-23,29,39-41,49,57-58H,9-10,16,18-21,24-28H2,1-8H3/t29-,39+,40-,41-,44+,45-,46-,47+,48+/m1/s1
InChI key： YNSIUGHLISOIRQ-SWSODSCOSA-N
SMILES： CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@@]32CCN2CC=C[C@](CC)([C@@H]32)[C@@H](OC(=O)CN(C)C)[C@]1(O)C(=O)OC
Systematic name  (3)：
  • 4-O-デアセチル-4-O-(N,N-ジメチルグリシル)ビンカロイコブラスチン
  • メチル (1R,9R,10S,11R,12R,19R)-11-{[2-(ジメチルアミノ)アセチル]オキシ}-12-エチル-4-[(13S,15S,17S)-17-エチル-17-ヒドロキシ-13-(メトキシカルボニル)-1,11-ジアザテトラシクロ[13.3.1.04,12.05,10]ノナデカ-4(12),5,7,9-テトラエン-13-イル]-10-ヒドロキシ-5-メトキシ-8-メチル-8,16-ジアザペンタシクロ[10.6.1.01,9.02,7.016,19]ノナデカ-2(7),3,5,13-テトラエン-10-カルボキシラート
  • methyl (1R,9R,10S,11R,12R,19R)-11-{[2-(dimethylamino)acetyl]oxy}-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
Other name (3)：
  • ビングリシナート
  • Vinglycinate
  • 4-O-Deacetyl-4-O-(N,N-dimethylglycyl)vincaleukoblastine
CAS registry number： 865-24-7
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