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Substance Name: Ergostine maleate
RN: 5004-95-5
UNII: CFD408L3CG
InChIKey: MFJIQZWRWKDUSA-YXBKWZMVSA-N

Molecular Weight

  • 1307.4642
 
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Names and Synonyms

Name of Substance

  • Ergostine maleate

Synonyms

  • Ergotaman-3',6',18-trione, 2'-ethyl-12'-hydroxy-5'-(phenylmethyl)-, (5'alpha)-, (Z)-2-butenedioate (1:2)(Salt)
  • UNII-CFD408L3CG

Registry Numbers

CAS Registry Number

  • 5004-95-5

FDA UNII

  • CFD408L3CG

System Generated Number

  • 0005004955

Structure Descriptors

InChI

1S/2C34H37N5O5.C4H4O4/c2*1-3-33(36-30(40)22-16-24-23-11-7-12-25-29(23)21(18-35-25)17-26(24)37(2)19-22)32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33;5-3(6)1-2-4(7)8/h2*4-7,9-12,16,18,22,26-28,35,43H,3,8,13-15,17,19H2,1-2H3,(H,36,40);1-2H,(H,5,6)(H,7,8)/b;;2-1-/t2*22-,26-,27+,28+,33-,34+;/m11./s1

InChIKey

MFJIQZWRWKDUSA-YXBKWZMVSA-N

Smiles

CC[C@@]1(NC(=O)[C@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(C3=C2)c45)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O.CC[C@@]9(NC(=O)[C@H]%10CN(C)[C@@H]%11Cc%12c[nH]c%13cccc(C%11=C%10)c%12%13)O[C@@]%14(O)[C@@H]%15CCCN%15C(=O)[C@H](Cc%16ccccc%16)N%14C9=O.OC(=O)\C=C/C(=O)O