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Substance Name: Calcipotriene [USAN]
RN: 112965-21-6
UNII: 143NQ3779B
InChIKey: LWQQLNNNIPYSNX-UROSTWAQSA-N

Note

  • A topical dermatologic for the treatment of moderate plaque psoriasis.

Molecular Formula

  • C27-H40-O3

Molecular Weight

  • 412.61
 

Classification Codes

  • Antipsoriatic
  • Dermatologic Agents
  • Drug / Therapeutic Agent
  • Human Data
  • Reproductive Effect

Names and Synonyms

Name of Substance

  • Calcipotriene
  • Calcipotriene [USAN]
  • Calcipotriol [INN]

Synonyms

  • (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol
  • Calcipotriene
  • Calcipotriol
  • Calciptriol
  • Calcitrene
  • CCRIS 7700
  • Daivonex
  • Dovonex
  • MC 903
  • PRI 2201
  • Psorcutan
  • Sorilux
  • UNII-143NQ3779B

Systematic Names

  • 9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1alpha,3beta,5Z,7E,22E,24S)-
  • Calcipotriol

Registry Numbers

CAS Registry Number

  • 112965-21-6

FDA UNII

  • 143NQ3779B

Other Registry Number

  • 112828-00-9

System Generated Number

  • 0112965216

Structure Descriptors

InChI

InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1

InChIKey

LWQQLNNNIPYSNX-UROSTWAQSA-N

Smiles

C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]2CC[C@H]3\C(=C\C=C/4\C[C@@H](O)C[C@H](O)C4=C)\CCC[C@]23C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 skin > 1500ug/kg (1.5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

MUSCULOSKELETAL: OTHER CHANGES

GASTROINTESTINAL: NAUSEA OR VOMITING		 Journal of Toxicological Sciences. Vol. 21(Suppl,
man TDLo skin 11gm/kg/11W-I (11000mg/kg)   British Medical Journal. Vol. 306, Pg. 896, 1993.
rat LD50 skin > 15mg/kg (15mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA		 Journal of Toxicological Sciences. Vol. 21(Suppl,
rat LD50 subcutaneous 2190ug/kg (2.19mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Journal of Toxicological Sciences. Vol. 21(Suppl,
women TDLo skin 10gm/kg/6W-I (10000mg/kg)   British Medical Journal. Vol. 306, Pg. 896, 1993.