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Substance Name: Cevadine sulfate
RN: 7770-31-2
UNII: 3TU82R4MEV
InChIKey: LVNNUOZILAFQRM-OERGDMKHSA-N

Molecular Formula

  • 2C32-H49-N-O9.H2-O4-S

Molecular Weight

  • 1281.552
 
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Names and Synonyms

Name of Substance

  • Cevadine sulfate

Synonyms

  • Cevadine sulfate
  • Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(2-methyl-2-butenoate), (3beta(Z),4alpha,16beta)-, sulfate (2:1) (salt)
  • NSC-36572
  • UNII-3TU82R4MEV
  • Veratrine sulfate

Registry Numbers

CAS Registry Number

  • 7770-31-2

FDA UNII

  • 3TU82R4MEV

System Generated Number

  • 0007770312

Structure Descriptors

InChI

1S/2C32H49NO9.H2O4S/c2*1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36;1-5(2,3)4/h2*6,17,19-24,34,36-40H,7-16H2,1-5H3;(H2,1,2,3,4)/b2*18-6-;/t2*17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-;/m00./s1

InChIKey

LVNNUOZILAFQRM-OERGDMKHSA-N

Smiles

C\C=C(\C)/C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(O)C[C@H](O)[C@@]6(O)[C@@H](CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@]5(O)C[C@]24O[C@]13O.C\C=C(\C)/C(=O)O[C@H]8CC[C@@]9(C)[C@@H]%10CC[C@H]%11[C@]%12(O)C[C@H](O)[C@@]%13(O)[C@@H](CN%14C[C@@H](C)CC[C@H]%14[C@@]%13(C)O)[C@]%12(O)C[C@]9%11O[C@]8%10O.OS(=O)(=O)O