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Substance Name: Atocalcitol [INN]
RN: 302904-82-1
UNII: PR3292R3H7
InChIKey: CFIFSLBCJAXYTC-FJLAUVHZSA-N

Classification Code

  • Vitamin D Analog

Molecular Formula

  • C32-H46-O4

Molecular Weight

  • 494.7114
 
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Names and Synonyms

Name of Substance

  • Atocalcitol [INN]

Synonyms

  • (1S,3R,5Z,7E,20R)-20-(3-(2-Hydroxypropan-2-yl)benzyloxymethyl)-9,10-secopregna-5,7,10(19)-triene-1alpha,3gb-diol
  • Atocalcitol
  • Atocalcitolum
  • Atocalcitolum [INN-Latin]
  • UNII-PR3292R3H7

Systematic Name

  • (1S,3R,5Z,7E,20R)-20-(3-(2-Hydroxypropan-2-yl)benzyloxymethyl)-9,10-secopregna-5,7,10(19)-triene-1alpha,3beta-diol

Registry Numbers

CAS Registry Number

  • 302904-82-1

FDA UNII

  • PR3292R3H7

System Generated Number

  • 0302904821

Structure Descriptors

InChI

1S/C32H46O4/c1-21(19-36-20-23-8-6-10-26(16-23)31(3,4)35)28-13-14-29-24(9-7-15-32(28,29)5)11-12-25-17-27(33)18-30(34)22(25)2/h6,8,10-12,16,21,27-30,33-35H,2,7,9,13-15,17-20H2,1,3-5H3/b24-11+,25-12-/t21-,27+,28+,29-,30-,32+/m0/s1

InChIKey

CFIFSLBCJAXYTC-FJLAUVHZSA-N

Smiles

C[C@@H](COCc1cccc(c1)C(C)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C