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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
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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/s1InChIKey
LWQQLNNNIPYSNX-UROSTWAQSA-NSmiles
C[C@H](\C=C\[C@@H](O)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. |