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Substance Name: Cassamine sulfate
RN: 25443-02-1
UNII: 1X6T49FA32
InChIKey: ZEQDCWMVIXLRSX-PKBCFCONSA-N

Molecular Formula

  • C25-H39-N-O5.H2-O4-S

Molecular Weight

  • 531.6629
 
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Names and Synonyms

Name of Substance

  • Cassamine sulfate

Synonyms

  • Cassamine sulfate
  • Cassamine sulfate [MI]
  • Podocarpan-16-oic acid, 13-(carboxymethylene)-14-methyl-7-oxo-, 13-(2-(dimethylamino)ethyl) methyl ester, sulfate (1:1)
  • UNII-1X6T49FA32

Registry Numbers

CAS Registry Number

  • 25443-02-1

FDA UNII

  • 1X6T49FA32

System Generated Number

  • 0025443021

Structure Descriptors

InChI

1S/C25H39NO5.H2O4S/c1-16-17(14-21(28)31-13-12-26(4)5)8-9-18-22(16)19(27)15-20-24(18,2)10-7-11-25(20,3)23(29)30-6;1-5(2,3)4/h14,16,18,20,22H,7-13,15H2,1-6H3;(H2,1,2,3,4)/b17-14+;/t16-,18-,20+,22-,24+,25-;/m0./s1

InChIKey

ZEQDCWMVIXLRSX-PKBCFCONSA-N

Smiles

C[C@@H]\1[C@H]2[C@H](CC/C1=C\C(=O)OCCN(C)C)[C@]3(CCC[C@]([C@@H]3CC2=O)(C)C(=O)OC)C.OS(=O)(=O)O