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Substance Name: Secalciferol [USAN:INN:BAN]
RN: 55721-11-4
UNII: 460029IUDA
InChIKey: FCKJYANJHNLEEP-XRWYNYHCSA-N

Classification Code

  • Regulator (Calcium)

Molecular Formula

  • C27-H44-O3

Molecular Weight

  • 416.6416
 
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Names and Synonyms

Name of Substance

  • Secalciferol [USAN:INN:BAN]

Synonyms

  • (24R)-Hydroxycalcidiol
  • (3-beta,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol
  • (5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-3beta,24,25-triol
  • 24(R),25-Dihydroxycholecalciferol
  • 24(R),25-Dihydroxyvitamin D3
  • 24r,25-Dihydroxycholecalciferol
  • CCRIS 8678
  • K-DR
  • Osteo D
  • Ro 21-5816
  • Secalciferol
  • Secalciferolum
  • Secalciferolum [INN-Latin]
  • UNII-460029IUDA

Systematic Name

  • 9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol, (3beta,5Z,7E,24R)-

Registry Numbers

CAS Registry Number

  • 55721-11-4

FDA UNII

  • 460029IUDA

System Generated Number

  • 0055721114

Structure Descriptors

InChI

1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25-,27-/m1/s1

InChIKey

FCKJYANJHNLEEP-XRWYNYHCSA-N

Smiles

C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous > 2mg/kg (2mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #94-247858,
rat LD50 oral > 10mg/kg (10mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #94-247858,