CALCIPOTRIENE MONOHYDRATE

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 Search

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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 15:32:51 UTC 2023` Edited by `admin` on `Fri Dec 15 15:32:51 UTC 2023`
Record UNII	S7499TYY6G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIPOTRIENE HYDRATE

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

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