U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H40O3.H2O
Molecular Weight 430.62
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of CALCIPOTRIENE MONOHYDRATE

SMILES

O.[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)[C@H](C)\C=C\[C@@H](O)C4CC4

InChI

InChIKey=XBKHACNRWFKJNC-MANNPBRJSA-N
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

HIDE SMILES / InChI

Approval Year

Name Type Language
CALCIPOTRIENE HYDRATE
ORANGE BOOK  
Preferred Name English
CALCIPOTRIENE MONOHYDRATE
Common Name English
TACLONEX COMPONENT CALCIPOTRIENE HYDRATE
Common Name English
CALCIPOTRIENE HYDRATE COMPONENT OF TACLONEX
Common Name English
CALCIPOTRIOL HYDRATE [JAN]
Common Name English
MC-903 HYDRATE
Code English
CALCIPOTRIENE HYDRATE [ORANGE BOOK]
Common Name English
CALCIPOTRIOL MONOHYDRATE
EP   WHO-DD  
EP  
Official Name English
Calcipotriol monohydrate [WHO-DD]
Common Name English
CALCIPOTRIOL HYDRATE
Common Name English
ENSTILAR COMPONENT CALCIPOTRIENE HYDRATE
Brand Name English
CALCIPOTRIOL MONOHYDRATE [EP MONOGRAPH]
Common Name English
9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL, 24-CYCLOPROPYL-, (1.ALPHA.,3.BETA.,5Z,7E,22E,24S)-, MONOHYDRATE
Common Name English
CALCIPOTRIENE HYDRATE COMPONENT OF ENSTILAR
Brand Name English
CALCIPOTRIENE MONOHYDRATE [USP MONOGRAPH]
Common Name English
Code System Code Type Description
SMS_ID
100000090521
Created by admin on Fri Dec 15 15:32:51 UTC 2023 , Edited by admin on Fri Dec 15 15:32:51 UTC 2023
PRIMARY
RXCUI
1299898
Created by admin on Fri Dec 15 15:32:51 UTC 2023 , Edited by admin on Fri Dec 15 15:32:51 UTC 2023
PRIMARY RxNorm
DAILYMED
S7499TYY6G
Created by admin on Fri Dec 15 15:32:51 UTC 2023 , Edited by admin on Fri Dec 15 15:32:51 UTC 2023
PRIMARY
ChEMBL
CHEMBL1200666
Created by admin on Fri Dec 15 15:32:51 UTC 2023 , Edited by admin on Fri Dec 15 15:32:51 UTC 2023
PRIMARY
EVMPD
SUB26081
Created by admin on Fri Dec 15 15:32:51 UTC 2023 , Edited by admin on Fri Dec 15 15:32:51 UTC 2023
PRIMARY
PUBCHEM
49800068
Created by admin on Fri Dec 15 15:32:51 UTC 2023 , Edited by admin on Fri Dec 15 15:32:51 UTC 2023
PRIMARY
CHEBI
90861
Created by admin on Fri Dec 15 15:32:51 UTC 2023 , Edited by admin on Fri Dec 15 15:32:51 UTC 2023
PRIMARY
CAS
147657-22-5
Created by admin on Fri Dec 15 15:32:51 UTC 2023 , Edited by admin on Fri Dec 15 15:32:51 UTC 2023
PRIMARY
FDA UNII
S7499TYY6G
Created by admin on Fri Dec 15 15:32:51 UTC 2023 , Edited by admin on Fri Dec 15 15:32:51 UTC 2023
PRIMARY
DRUG BANK
DBSALT001386
Created by admin on Fri Dec 15 15:32:51 UTC 2023 , Edited by admin on Fri Dec 15 15:32:51 UTC 2023
PRIMARY