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Substance Name: Seocalcitol [INN:BAN]
RN: 134404-52-7
UNII: Q0OZ0D9223
InChIKey: LVLLALCJVJNGQQ-SEODYNFXSA-N

Classification Codes

  • Antineoplastic Agents
  • Immunologic Factors
  • Immunosuppressive Agents

Molecular Formula

  • C30-H46-O3

Molecular Weight

  • 454.6904
 
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Names and Synonyms

Name of Substance

  • Seocalcitol
  • Seocalcitol [INN:BAN]

Synonyms

  • (5Z,7E,22E,24E)-24a,26a,27a-Trihomo-9,10-secocholesta-5,7,10(19),22,24-pentaene-1alpha,3beta,25-triol
  • 1(S),3(R)-Dihydroxy-20(R)-(5'-ethyl-5'-hydroxyhepta-1'(E),3'(E)-dien-1'-yl)-9,10-secopregna-5(Z),7(E),10(19)-triene
  • 1,3-Cyclohexanediol, 5-((2E)-((1R,3aS,7aR)-1-((1R,2E,4E)-6-ethyl-6-hydroxy-1-methyl-2,4-octadienyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1R,3S,5Z)-
  • EB-1089
  • EB1089
  • Seocalcitol
  • UNII-Q0OZ0D9223

Systematic Name

  • 1,3-Cyclohexanediol, 5-((1-(6-ethyl-6-hydroxy-1-methyl-2,4-octadienyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1R-(1alpha(1R*,2E,4E),3abeta,4E(1R*,3S*,5Z),7aalpha))-

Registry Numbers

CAS Registry Number

  • 134404-52-7

FDA UNII

  • Q0OZ0D9223

System Generated Number

  • 0134404527

Structure Descriptors

InChI

1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1

InChIKey

LVLLALCJVJNGQQ-SEODYNFXSA-N

Smiles

CCC(O)(CC)\C=C\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C