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Substance Name: beta-Ergocryptine phosphate
RN: 328236-49-3
UNII: 61KMR73K97
InChIKey: MZYGNRLYCKVHGZ-BVDBMUKSSA-N

Molecular Formula

  • C32-H41-N5-O5.H3-O4-P

Molecular Weight

  • 673.6996
 
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Names and Synonyms

Name of Substance

  • beta-Ergocryptine phosphate

Synonyms

  • beta-Ergocryptine phosphate
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-((1S)-1-methylpropyl)-, (5'alpha)-, phosphate (1:1) (salt)
  • UNII-61KMR73K97

Registry Numbers

CAS Registry Number

  • 328236-49-3

FDA UNII

  • 61KMR73K97

System Generated Number

  • 0328236493

Structure Descriptors

InChI

1S/C32H41N5O5.H3O4P/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;1-5(2,3)4/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38);(H3,1,2,3,4)/t18-,20+,24+,25-,27-,31+,32-;/m0./s1

InChIKey

MZYGNRLYCKVHGZ-BVDBMUKSSA-N

Smiles

CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c[nH]c7c6c(ccc7)C5=C4)C)O.OP(=O)(O)O