BAR-501, 7?-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H46O3
Molecular Weight	406.6416
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCO)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]14

InChI

InChIKey=DQBAHTQWQZRMFH-GRVUFFLBSA-N

InChI=1S/C26H46O3/c1-5-18-22-15-17(28)10-12-26(22,4)21-11-13-25(3)19(16(2)7-6-14-27)8-9-20(25)23(21)24(18)29/h16-24,27-29H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22+,23+,24-,25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H46O3
Molecular Weight	406.6416
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:05:39 GMT 2025` Edited by `admin` on `Wed Apr 02 19:05:39 GMT 2025`
Record UNII	A7W897DF2V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GP-BAR1 agonist BAR-501 impurity

Preferred Name

English

BAR-501, 7?-

Code

English

Cholane-3,7,24-triol, 6-ethyl-, (3?,5?,6?,7?)-

Systematic Name

English

(3?,5?,6?,7?)-6-Ethylcholane-3,7,24-triol

Systematic Name

English

Code System Code Type Description

PUBCHEM

101886306

Created by admin on Wed Apr 02 19:05:39 GMT 2025 , Edited by admin on Wed Apr 02 19:05:39 GMT 2025

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FDA UNII

A7W897DF2V

Created by admin on Wed Apr 02 19:05:39 GMT 2025 , Edited by admin on Wed Apr 02 19:05:39 GMT 2025

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EPA CompTox

DTXSID501272984

Created by admin on Wed Apr 02 19:05:39 GMT 2025 , Edited by admin on Wed Apr 02 19:05:39 GMT 2025

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CAS

1632118-70-7

Created by admin on Wed Apr 02 19:05:39 GMT 2025 , Edited by admin on Wed Apr 02 19:05:39 GMT 2025

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