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Substance Name: Geissospermine dihydrate
RN: 6056-65-1
UNII: 22ML425781
InChIKey: NMOYIJCIUQWOPR-KPZPOVKOSA-N

Molecular Formula

  • C40-H48-N4-O3.2H2-O

Molecular Weight

  • 668.8738
 
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Names and Synonyms

Name of Substance

  • Geissospermine dihydrate

Synonyms

  • Corynan-17-oic acid, 19,20-didehydro-16-((10beta,13beta,21beta)-23-deoxy-21,22-dihydro-11-oxa-12,24-secostrychnidin-10-yl)-, methyl ester, dihydrate, (16R,19E)-
  • Geissospermine dihydrate
  • Geissospermine dihydrate [MI]
  • UNII-22ML425781

Registry Numbers

CAS Registry Number

  • 6056-65-1

FDA UNII

  • 22ML425781

System Generated Number

  • 0006056651

Structure Descriptors

InChI

1S/C40H48N4O3.2H2O/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36;;/h5-13,23,27-29,33-35,37-38,41H,4,14-22H2,1-3H3;2*1H2/b24-5-;;/t23-,27+,28-,29+,33+,34+,35-,37+,38+,40-;;/m1../s1

InChIKey

NMOYIJCIUQWOPR-KPZPOVKOSA-N

Smiles

CC[C@@H]1C[N@@]2CC[C@@]34[C@@H]2C[C@@H]1[C@H]5[C@@H]3N(c6c4cccc6)[C@@H](OC5)[C@@H]([C@@H]\7C[C@H]8c9c(c1ccccc1[nH]9)CCN8C/C7=C/C)C(=O)OC.O.O