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Substance Name: Calcipotriene hydrate
RN: 147657-22-5
UNII: S7499TYY6G
InChIKey: XBKHACNRWFKJNC-MANNPBRJSA-N

Note

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

Classification Code

  • Dermatologic Agents

Molecular Formula

  • C27-H40-O3.H2-O

Molecular Weight

  • 430.6248
 
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Names and Synonyms

Name of Substance

  • Calcipotriene hydrate

Synonym

  • UNII-S7499TYY6G

Registry Numbers

CAS Registry Number

  • 147657-22-5

FDA UNII

  • S7499TYY6G

System Generated Number

  • 0147657225

Structure Descriptors

InChI

1S/C27H40O3.H2O/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;1H2/b13-6+,19-7+,21-10-;/t17-,22-,23-,24+,25-,26+,27-;/m1./s1

InChIKey

XBKHACNRWFKJNC-MANNPBRJSA-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.O