CALCIPOTRIENE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H40O3
Molecular Weight	412.6047
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of CALCIPOTRIENE

Structure Search

SMILES

[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=LWQQLNNNIPYSNX-UROSTWAQSA-N

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

HIDE SMILES / InChI

Molecular Formula	C27H40O3
Molecular Weight	412.6047
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:55:30 UTC 2023` Edited by `admin` on `Fri Dec 15 15:55:30 UTC 2023`
Record UNII	143NQ3779B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CALCIPOTRIENE

Official Name

English

MC-903

Code

English

(5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1α,3β,24-triol

Common Name

English

calcipotriol [INN]

Common Name

English

CALCIPOTRIOL [JAN]

Common Name

English

CALCIPOTRIOL

Official Name

English

CALCIPOTRIENE [USP MONOGRAPH]

Common Name

English

SORILUX

Brand 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)-

Common Name

English

CALCIPOTRIOL ANHYDROUS

Common Name

English

CALCIPOTRIOL [EP MONOGRAPH]

Common Name

English

CALCIPTRIOL

Common Name

English

CALCIPOTRIENE [MI]

Common Name

English

Calcipotriol [WHO-DD]

Common Name

English

CALCIPOTRIENE [USAN]

Common Name

English

CALCIPOTRIENE [ORANGE BOOK]

Common Name

English

CALCIPOTRIENE [VANDF]

Common Name

English

DOVONEX

Brand Name

English

CALCIPOTRIENE [USP-RS]

Common Name

English

PRI-2201

Code

English

CALCIPOTRIOL [MART.]

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000006277

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

NDF-RT

N0000175849

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

WHO-VATC

QD05AX52

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

WHO-ATC

D05AX02

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

NCI_THESAURUS

C29708

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

WHO-ATC

D05AX52

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

WHO-VATC

QD05AX02

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

Code System Code Type Description

WIKIPEDIA

CALCIPOTRIOL

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

DAILYMED

143NQ3779B

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

FDA UNII

143NQ3779B

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

EVMPD

SUB06046MIG

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

CAS

112828-00-9

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

SUPERSEDED

LACTMED

Calcipotriene

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

MERCK INDEX

m2914

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

Merck Index

EPA CompTox

DTXSID0046648

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

RS_ITEM_NUM

1086141

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

NCI_THESAURUS

C28900

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

MESH

C055085

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

USAN

CC-76

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

PUBCHEM

5288783

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

ChEMBL

CHEMBL1200666

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

CAS

112965-21-6

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

EVMPD

SUB22029

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

INN

6376

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

DRUG BANK

DB02300

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

IUPHAR

2778

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

RXCUI

29365

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

RxNorm

SMS_ID

100000085642

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

DRUG CENTRAL

465

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

CHEBI

50749

Created by admin on Fri Dec 15 15:55:30 UTC 2023 , Edited by admin on Fri Dec 15 15:55:30 UTC 2023

PRIMARY

Related Record Type Details


					S7499TYY6G

CALCIPOTRIENE MONOHYDRATE

SOLVATE->ANHYDROUS


					S7499TYY6G

CALCIPOTRIENE MONOHYDRATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					G70BS4HF9Z

MC-1046

METABOLITE -> PARENT


					F7KIE52YT0

CALCITROIC ACID

METABOLITE -> PARENT

Related Record Type Details


					TYF37XV46I

CALCIPOTRIOL, 24R-

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					075Y05GJ7L

CALCIPOTRIOL, (7Z)-

IMPURITY -> PARENT

Amount:


					BKJ05UZO99

SUPRASTEROL OF CALCIPOTRIOL

IMPURITY -> PARENT

Amount:


					VLP3070D1T

24,24'-OXYBIS((5Z,7E,22E,24S)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1.ALPHA.,3.BETA.-DIOL)

IMPURITY -> PARENT

Comments:

Calcipotriene impurity G and calcipotriene impurity H not more than 0.25%

Interaction Type:

CHROMATOGRAPHIC PURITY (TLC)

Qualification:

USP

Amount:


					G70BS4HF9Z

MC-1046

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (TLC)

Qualification:

USP

Amount:


					4SP93VP62P

24-CYCLOPROPYL-1.ALPHA.,3.BETA.-BIS(((1,1-DIMETHYLETHYL)DIMETHYLSILYL)OXY)-9,10-SECOCHOLA-5,7,10(19),22-TETRAEN-24-OL, (5Z,7E,22E,24S)-

IMPURITY -> PARENT

Amount:


					96516X6183

22-HYDROGENATED RACEMIC CALCIPOTRIOL

IMPURITY -> PARENT

Amount:


					QRA3492A7Q

CALCIPOTRIOL, (5E)-

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					8131718TXJ

(5Z,7E,22E,24R)-24-CYCLOPROPYL-24-(((5Z,7E,22E,24S)-24-CYCLOPROPYL-1.ALPHA.,3.BETA.-DIHYDROXY-9,10-SECOCHOLA-5,7,10(19),22-TETRAEN-24-YL)OXY)-9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1.ALPHA.,3.BETA.-DIOL

IMPURITY -> PARENT

Comments:

Calcipotriene impurity G and calcipotriene impurity H not more than 0.25%

Interaction Type:

CHROMATOGRAPHIC PURITY (TLC)

Qualification:

USP

Amount:

Related Record Type Details


					143NQ3779B

ACTIVE MOIETY