QUINELORANE HYDROCHLORIDE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H22N4.2ClH
Molecular Weight	319.273
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of QUINELORANE HYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.[H][C@]12CCCN(CCC)[C@]1([H])CC3=C(C2)N=C(N)N=C3

InChI

InChIKey=WDEMLQIGYYLRRX-OWVUFADGSA-N

InChI=1S/C14H22N4.2ClH/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12;;/h9-10,13H,2-8H2,1H3,(H2,15,16,17);2*1H/t10-,13-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C14H22N4
Molecular Weight	246.3513
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:00:41 UTC 2023` Edited by `admin` on `Fri Dec 15 18:00:41 UTC 2023`
Record UNII	JT5527J55O
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

QUINELORANE HYDROCHLORIDE

Official Name

English

LY163502

Code

English

PYRIDO(2,3-G)QUINAZOLIN-2-AMINE, 5,5A,6,7,8,9,9A,10-OCTAHYDRO-6-PROPYL-, DIHYDROCHLORIDE, (5AR-TRANS)-

Common Name

English

LY-163502

Code

English

(-)-(5AR,9AR)-2-AMINO-5,5A,6,7,8,9,9A,10-OCTAHYDRO-6-PROPYLPYRIDO(2,3-G)QUINAZOLINE DIHYDROCHLORIDE

Common Name

English

QUINELORANE HYDROCHLORIDE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66884

Created by admin on Fri Dec 15 18:00:41 UTC 2023 , Edited by admin on Fri Dec 15 18:00:41 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C152122

Created by admin on Fri Dec 15 18:00:41 UTC 2023 , Edited by admin on Fri Dec 15 18:00:41 UTC 2023

PRIMARY

PUBCHEM

68728

Created by admin on Fri Dec 15 18:00:41 UTC 2023 , Edited by admin on Fri Dec 15 18:00:41 UTC 2023

PRIMARY

EPA CompTox

DTXSID60913869

Created by admin on Fri Dec 15 18:00:41 UTC 2023 , Edited by admin on Fri Dec 15 18:00:41 UTC 2023

PRIMARY

ChEMBL

CHEMBL155731

Created by admin on Fri Dec 15 18:00:41 UTC 2023 , Edited by admin on Fri Dec 15 18:00:41 UTC 2023

PRIMARY

CAS

97548-97-5

Created by admin on Fri Dec 15 18:00:41 UTC 2023 , Edited by admin on Fri Dec 15 18:00:41 UTC 2023

PRIMARY

USAN

X-99

Created by admin on Fri Dec 15 18:00:41 UTC 2023 , Edited by admin on Fri Dec 15 18:00:41 UTC 2023

PRIMARY

FDA UNII

JT5527J55O

Created by admin on Fri Dec 15 18:00:41 UTC 2023 , Edited by admin on Fri Dec 15 18:00:41 UTC 2023

PRIMARY

Related Record Type Details


					Z0X4VT3Y1Q

PARENT -> SALT/SOLVATE

Related Record Type Details


					Z0X4VT3Y1Q

ACTIVE MOIETY