C27H40O3
412.6 g/mol
APIDanger
(5E)-Calcipotriol
CAS113082-99-8EC688-307-1
Category
API
Compound Class
Steroid
Primary Use
Pharmaceutical Raw Material
(5E)-Calcipotriol is a stereoisomer of calcipotriol, a compound used as an active pharmaceutical ingredient in topical formulations for psoriasis. It is a derivative of vitamin D with a cyclopropyl-containing side chain.
pharmaceutical raw material for antipsoriatic formulations
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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CAS 113082-99-8
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Referencestereoisomer of
Calcipotriene hydrate
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Referencestereoisomer of
24R-calcipotriol
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Referencestereoisomer of
Calcipotriol
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pharmaceutical raw material
Safety Reference
Danger
H300Fatal if swallowed
H311Toxic in contact with skin
H330Fatal if inhaled
H372Causes damage to organs through prolonged or repeated exposure
Identifiers
IUPAC Name
trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKey
LWQQLNNNIPYSNX-GMGGYIQASA-N
SMILES
C[C@H](/C=C/[C@H](C1CC1)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
Synonyms (20)
- (5E,7E,22E,24S)-24-cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1a,3ss,24-triol; (5E)-calcipotriol); Calcipotriol Imp. C (EP)
- CALCIPOTRIOL IMPURITY C (EP IMPURITY)
- Calcipotriol EP Impurity C
- (5E)-Calcipotriene
- (5E)-Calcipotriol
- 5,6-trans-Calcipotriol
- CALCIPOTRIOL IMPURITY C
- Calcipotriol, (5E)-