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Substance Name: 1alpha-Hydroxy-5,6-trans-vitamin D3
RN: 65445-14-9
InChIKey: OFHCOWSQAMBJIW-AOSUDXALSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H44-O2

Molecular Weight

  • 400.6426
 
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Names and Synonyms

Name of Substance

  • 1alpha-Hydroxy-5,6-trans-vitamin D3

Synonyms

  • (1-alpha,3-beta,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diol
  • BRN 4715875

Systematic Name

  • 9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1-alpha,3-beta,5E,7E)-

Registry Numbers

CAS Registry Number

  • 65445-14-9

System Generated Number

  • 0065445149

Structure Descriptors

InChI

1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12+/t19-,23-,24-,25+,26+,27-/m1/s1

InChIKey

OFHCOWSQAMBJIW-AOSUDXALSA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 200mg/kg (200mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.
dog LD50 oral 500mg/kg (500mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.
mouse LD50 intravenous 71mg/kg (71mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.
mouse LD50 oral 440mg/kg (440mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.
mouse LD50 subcutaneous 85mg/kg (85mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.
rat LD50 intravenous 101mg/kg (101mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.
rat LD50 oral 340mg/kg (340mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.
rat LD50 subcutaneous 62mg/kg (62mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 906, 1988.