Chem
J-GLOBAL ID：200907016411744896   Nikkaji number：J4.141F

DL-152

ビエタセルピン
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： C39H53N3O9
Molecular formula furigana： C39-H53-N3-O9
Molecular weight： 707.865
InChI： InChI=1S/C39H53N3O9/c1-9-40(10-2)15-16-42-29-20-25(45-3)11-12-26(29)27-13-14-41-22-24-19-33(37(49-7)34(39(44)50-8)28(24)21-30(41)35(27)42)51-38(43)23-17-31(46-4)36(48-6)32(18-23)47-5/h11-12,17-18,20,24,28,30,33-34,37H,9-10,13-16,19,21-22H2,1-8H3/t24-,28+,30-,33-,34+,37+/m1/s1
InChI key： WFTSRDISOMSAQC-ZNFOTRSXSA-N
SMILES： CCN(CC)CCn1c2[C@H]3C[C@H]4[C@H](C[C@@H](OC(=O)c5cc(OC)c(OC)c(OC)c5)[C@H](OC)[C@H]4C(=O)OC)CN3CCc2c2ccc(OC)cc12
Systematic name  (3)：
  • (3β,20α)-1-[2-(ジエチルアミノ)エチル]-11,17α-ジメトキシ-18β-[(3,4,5-トリメトキシベンゾイル)オキシ]ヨヒンバン-16β-カルボン酸メチル
  • メチル (1R,15S,17R,18R,19S,20S)-3-[2-(ジエチルアミノ)エチル]-6,18-ジメトキシ-17-(3,4,5-トリメトキシベンゾイルオキシ)-3,13-ジアザペンタシクロ[11.8.0.02,10.04,9.015,20]ヘンイコサ-2(10),4,6,8-テトラエン-19-カルボキシラート
  • methyl (1R,15S,17R,18R,19S,20S)-3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-19-carboxylate
Other name (9)：
  • ビエタセルピン
  • DL-152
  • S-1210
  • Bietaserpine
  • (3β,20α)-1-[2-(Diethylamino)ethyl]-11,17α-dimethoxy-18β-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16β-carboxylic acid methyl
Show all
CAS registry number： 53-18-9
Regulation number (2)：
  • ZF9380000
  • EINECS2001650
KEGG DRUG： D07167
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