8-Hydroxy-3-(n-propyl)-1,2,3a,4,5,9b-hexahydro-1H-benz[e]indole hydrobromide, cis-

Details

Stereochemistry	RACEMIC
Molecular Formula	C15H21NO.BrH
Molecular Weight	312.245
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-Hydroxy-3-(n-propyl)-1,2,3a,4,5,9b-hexahydro-1H-benz[e]indole hydrobromide, cis-

Structure Search

SMILES

Br.CCCN1CC[C@@H]2[C@H]1CCC3=CC=C(O)C=C23

InChI

InChIKey=UMGQLEXNQCHIFN-NQQJLSKUSA-N

InChI=1S/C15H21NO.BrH/c1-2-8-16-9-7-13-14-10-12(17)5-3-11(14)4-6-15(13)16;/h3,5,10,13,15,17H,2,4,6-9H2,1H3;1H/t13-,15+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

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

Molecular Formula	C15H21NO
Molecular Weight	231.3333
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Dopamine D3 receptor 97 Target ID: CHEMBL234 Sources: https://adisinsight.springer.com/drugs/800010495 \| https://www.ncbi.nlm.nih.gov/pubmed/9473144	Agonist 2752	27.0 nM [Ki]
Dopamine D4 receptor 76 Target ID: CHEMBL219 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9473144	Binding Agent 1076	276.0 nM [Ki]
Dopamine D2 receptor 311 Target ID: CHEMBL217 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9473144	Binding Agent 1076	1.8 µM [Ki]

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:20:10 GMT 2025` Edited by `admin` on `Wed Apr 02 16:20:10 GMT 2025`
Record UNII	CM8379NZR2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1H-Benz[e]indol-8-ol, 2,3,3a,4,5,9b-hexahydro-3-propyl-, hydrobromide (1:1), (3aR,9bS)-rel-

Preferred Name

English

8-Hydroxy-3-(n-propyl)-1,2,3a,4,5,9b-hexahydro-1H-benz[e]indole hydrobromide, cis-

Systematic Name

English

cis-8-Hydroxy-3-(n-propyl)-1,2,3a,4,5,9b-hexahydro-1H-benz[e]indole hydrobromide

Systematic Name

English

1H-Benz[e]indol-8-ol, 2,3,3a,4,5,9b-hexahydro-3-propyl-, hydrobromide, (3aR,9bS)-rel-

Systematic Name

English

Code System Code Type Description

CAS

251327-24-9

Created by admin on Wed Apr 02 16:20:10 GMT 2025 , Edited by admin on Wed Apr 02 16:20:10 GMT 2025

PRIMARY

PUBCHEM

20846168

Created by admin on Wed Apr 02 16:20:10 GMT 2025 , Edited by admin on Wed Apr 02 16:20:10 GMT 2025

PRIMARY

FDA UNII

CM8379NZR2

Created by admin on Wed Apr 02 16:20:10 GMT 2025 , Edited by admin on Wed Apr 02 16:20:10 GMT 2025

PRIMARY

EPA CompTox

DTXSID701017986

Created by admin on Wed Apr 02 16:20:10 GMT 2025 , Edited by admin on Wed Apr 02 16:20:10 GMT 2025

PRIMARY

Related Record Type Details


					ZY5Q2FA7G6

2,3,3a,4,5,9b-Hexahydro-3-propyl-1H-benz[e]indol-8-ol, rel-(3aR,9bS)-

PARENT -> SALT/SOLVATE

Amount: