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Substance Name: Mebolazine [INN]
RN: 3625-07-8
UNII: 69C642I19V
InChIKey: POPWFGNRCCUJGU-RSSVFQIBSA-N

Molecular Formula

  • C42-H68-N2-O2

Molecular Weight

  • 633.0112
 
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Names and Synonyms

Name of Substance

  • Mebolazine
  • Mebolazine [INN]

Synonyms

  • Dimetazin
  • Dimethazine
  • Mebolazina
  • Mebolazina [DCIT]
  • Mebolazine
  • Mebolazinum
  • Mebolazinum [INN-Latin]
  • Mebulazina
  • Mebulazina [INN-Spanish]
  • Roxilon
  • UNII-69C642I19V

Systematic Names

  • 17-beta-hydroxy-2-alpha,17-dimethyl-5-alpha-androstan-3-one azine
  • 17beta-Hydroxy-2alpha,17-dimethyl-5alpha-androstan-3-one azine

Registry Numbers

CAS Registry Number

  • 3625-07-8

FDA UNII

  • 69C642I19V

System Generated Number

  • 0003625078

Structure Descriptors

InChI

1S/C42H68N2O2/c1-25-23-37(3)27(9-11-29-31(37)13-17-39(5)33(29)15-19-41(39,7)45)21-35(25)43-44-36-22-28-10-12-30-32(38(28,4)24-26(36)2)14-18-40(6)34(30)16-20-42(40,8)46/h25-34,45-46H,9-24H2,1-8H3/b43-35+,44-36+/t25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,37+,38+,39+,40+,41+,42+/m1/s1

InChIKey

POPWFGNRCCUJGU-RSSVFQIBSA-N

Smiles

C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(C)O)C/C/1=N\N=C\5/C[C@@H]6CC[C@@H]7[C@H](CC[C@@]8(C)[C@H]7CC[C@]8(C)O)[C@@]6(C)C[C@H]5C