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Substance Name: alpha-Ergocryptine phosphate
RN: 55852-82-9
UNII: OWA753099R
InChIKey: PFQLMECPCIPLLO-DRHOTACKSA-N

Molecular Formula

  • C32-H41-N5-O5.H3-O4-P

Molecular Weight

  • 673.6996
 
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Names and Synonyms

Name of Substance

  • alpha-Ergocryptine phosphate

Synonyms

  • alpha-Ergocryptine phosphate
  • EINECS 227-939-0
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)-, phosphate (salt)
  • Ergotaman-3',6',18-trione, 12'-hydroxy-5'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)-, phosphate (1:1) (salt)
  • UNII-OWA753099R

Registry Numbers

CAS Registry Number

  • 55852-82-9

FDA UNII

  • OWA753099R

System Generated Number

  • 0055852829

Structure Descriptors

InChI

1S/C32H41N5O5.H3O4P/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38);(H3,1,2,3,4)/t20-,24-,25+,26+,31-,32+;/m1./s1

InChIKey

PFQLMECPCIPLLO-DRHOTACKSA-N

Smiles

CC(C)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