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Substance Name: beta-Ergocryptinine
RN: 19467-61-9
UNII: 142T1S7N8V
InChIKey: YYWXOXLDOMRDHW-NKIAMHPASA-N

Molecular Formula

  • C32-H41-N5-O5

Molecular Weight

  • 575.7059
 
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Names and Synonyms

Name of Substance

  • beta-Ergocryptinine

Synonyms

  • beta-Ergokryptinine
  • UNII-142T1S7N8V

Systematic Name

  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(1-methylpropyl)-, (5'alpha(S),8alpha)-

Registry Numbers

CAS Registry Number

  • 19467-61-9

FDA UNII

  • 142T1S7N8V

System Generated Number

  • 0019467619

Structure Descriptors

InChI

1S/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20-,24+,25-,27-,31+,32-/m0/s1

InChIKey

YYWXOXLDOMRDHW-NKIAMHPASA-N

Smiles

CC[C@H](C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C