A-77636

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H27NO3
Molecular Weight	329.4333
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC[C@@H]1O[C@@H](CC2=C1C=CC(O)=C2O)[C@@]34CC5CC(CC(C5)C3)C4

InChI

InChIKey=QLJOSZATCBCBDR-DFKUFRTHSA-N

InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H27NO3
Molecular Weight	329.4333
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	Condition	Potency
Dopamine D1 receptor 101 Target ID: CHEMBL2056 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7658429	Agonist 2678		21.0 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:15:02 GMT 2023` Edited by `admin` on `Sat Dec 16 08:15:02 GMT 2023`
Record UNII	8PDA66H6ZI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

A-77636

Common Name

English

1H-2-BENZOPYRAN-5,6-DIOL, 1-(AMINOMETHYL)-3,4-DIHYDRO-3-TRICYCLO(3.3.1.13,7)DEC-1-YL-, (1R-CIS)

Systematic Name

English

1H-2-BENZOPYRAN-5,6-DIOL, 1-(AMINOMETHYL)-3,4-DIHYDRO-3-TRICYCLO(3.3.1.13,7)DEC-1-YL-, (1R,3S)-

Systematic Name

English

A 77636

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID1043887