THIOBROMADOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H26BrNOS
Molecular Weight	408.396
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of THIOBROMADOL

Structure Search

SMILES

CN(C)[C@]1(CC[C@@](O)(CCC2=CC=CS2)CC1)C3=CC=C(Br)C=C3

InChI

InChIKey=XRDNIYBVNZLPJE-MXVIHJGJSA-N

InChI=1S/C20H26BrNOS/c1-22(2)20(16-5-7-17(21)8-6-16)13-11-19(23,12-14-20)10-9-18-4-3-15-24-18/h3-8,15,23H,9-14H2,1-2H3/t19-,20-

HIDE SMILES / InChI

Approval Year

Name

Type

Language

C-8813

Preferred Name

English

THIOBROMADOL

Common Name

English

CYCLOHEXANOL, 4-(4-BROMOPHENYL)-4-(DIMETHYLAMINO)-1-(2-(2-THIENYL)ETHYL)-, TRANS-

Systematic Name

English

TRANS-4-(4-BROMOPHENYL)-4-(DIMETHYLAMINO)-1-(2-(2-THIENYL)ETHYL)CYCLOHEXANOL

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID901018411

Created by admin on Wed Apr 02 09:53:33 GMT 2025 , Edited by admin on Wed Apr 02 09:53:33 GMT 2025

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PUBCHEM

11058633

Created by admin on Wed Apr 02 09:53:33 GMT 2025 , Edited by admin on Wed Apr 02 09:53:33 GMT 2025

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FDA UNII

D343S4VX5G

Created by admin on Wed Apr 02 09:53:33 GMT 2025 , Edited by admin on Wed Apr 02 09:53:33 GMT 2025

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WIKIPEDIA

C-8813

Created by admin on Wed Apr 02 09:53:33 GMT 2025 , Edited by admin on Wed Apr 02 09:53:33 GMT 2025

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CAS

616898-54-5

Created by admin on Wed Apr 02 09:53:33 GMT 2025 , Edited by admin on Wed Apr 02 09:53:33 GMT 2025

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SUBSTANCE RECORD


					D343S4VX5G