Paricalcitol

CAS Registry Number®

131918-61-1

CAS Name

Paricalcitol

Molecular Formula

C27H44O3

Molecular Mass

416.64

Cite this Page

Paricalcitol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131918-61-1 (retrieved 2024-11-25) (CAS RN: 131918-61-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1

InChIKey

InChIKey=BPKAHTKRCLCHEA-UBFJEZKGSA-N

SMILES

C[C@@]12[C@](\C(=C\C=C3C[C@@H](O)C[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)(C)O)C)C)[H])[H]

Canonical SMILES

OC1CC(=CC=C2CCCC3(C)C2CCC3C(C=CC(C)C(O)(C)C)C)CC(O)C1

Other Names for this Substance

  • 1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3R,5Z)-
  • 19-Nor-9,10-secoergosta-5,7,22-triene-1,3,25-triol, (1α,3β,7E,22E)-
  • (1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-Octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
  • Paricalcitol
  • Zemplar

View All

Deleted or Replaced CAS Registry Numbers

539856-25-2

CAS INSIGHTSTM
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