CALCIPOTRIOL, (5E)-

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 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-GMGGYIQASA-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

Approval Year

Name

Type

Language

CALCIPOTRIOL, (5E)-

Common Name

English

PRI 2205

Code

English

CALCIPOTRIENE RELATED COMPOUND C [USP IMPURITY]

Common Name

English

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

Common Name

English

CALCIPOTRIENE RELATED COMPOUND C [USP-RS]

Common Name

English

1,3-CYCLOHEXANEDIOL, 5-((2E)-2-((1R,3AS,7AR)-1-((1R,2E,4S)-4-CYCLOPROPYL-4-HYDROXY-1-METHYL-2-BUTEN-1-YL)OCTAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENE-, (1S,3S,5E)-

Common Name

English

(5E)-CALCIPOTRIOL

Common Name

English

PRI-2205

Code

English

5,6-TRANS-CALCIPOTRIOL

Common Name

English

(5E)-CALCIPOTRIENE

Common Name

English

CALCIPOTRIOL IMPURITY C [EP IMPURITY]

Common Name

English

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

Common Name

English

CALCIPOTRIOL MONOHYDRATE IMPURITY C [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

9801803

Created by admin on Sat Dec 16 01:39:52 UTC 2023 , Edited by admin on Sat Dec 16 01:39:52 UTC 2023

PRIMARY

FDA UNII

QRA3492A7Q

Created by admin on Sat Dec 16 01:39:52 UTC 2023 , Edited by admin on Sat Dec 16 01:39:52 UTC 2023

PRIMARY

CAS

113082-99-8

Created by admin on Sat Dec 16 01:39:52 UTC 2023 , Edited by admin on Sat Dec 16 01:39:52 UTC 2023

PRIMARY

RS_ITEM_NUM

1086152

Created by admin on Sat Dec 16 01:39:52 UTC 2023 , Edited by admin on Sat Dec 16 01:39:52 UTC 2023

PRIMARY

SUBSTANCE RECORD


					QRA3492A7Q

CALCIPOTRIOL, (5E)-