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

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C15H21NO
Molecular Weight	231.3333
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

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

InChI

InChIKey=LJDRQPOQHHOXHM-DZGCQCFKSA-N

InChI=1S/C15H21NO/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/t13-,15+/m0/s1

HIDE SMILES / InChI

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

Targets

Primary Target	Pharmacology	Condition	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 15:03:08 GMT 2025` Edited by `admin` on `Wed Apr 02 15:03:08 GMT 2025`
Record UNII	ZY5Q2FA7G6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

1H-Benz[e]indol-8-ol, 2,3,3a,4,5,9b-hexahydro-3-propyl-, cis-

Systematic Name

English

Code System Code Type Description

FDA UNII

ZY5Q2FA7G6

Created by admin on Wed Apr 02 15:03:08 GMT 2025 , Edited by admin on Wed Apr 02 15:03:08 GMT 2025

PRIMARY

EPA CompTox

DTXSID501017897

Created by admin on Wed Apr 02 15:03:08 GMT 2025 , Edited by admin on Wed Apr 02 15:03:08 GMT 2025

PRIMARY

CAS

147678-60-2

Created by admin on Wed Apr 02 15:03:08 GMT 2025 , Edited by admin on Wed Apr 02 15:03:08 GMT 2025

PRIMARY

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