U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H31N5O3.ClH
Molecular Weight 437.963
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-HYDROXYBUSPIRONE HYDROCHLORIDE, (6S)-

SMILES

Cl.O[C@@H]1C(=O)N(CCCCN2CCN(CC2)C3=NC=CC=N3)C(=O)CC14CCCC4

InChI

InChIKey=QQVBLEXAVSAUDT-GMUIIQOCSA-N
InChI=1S/C21H31N5O3.ClH/c27-17-16-21(6-1-2-7-21)18(28)19(29)26(17)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9,18,28H,1-4,6-7,10-16H2;1H/t18-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
6-HYDROXYBUSPIRONE HYDROCHLORIDE, (6S)-
Common Name English
8-AZASPIRO(4.5)DECANE-7,9-DIONE, 6-HYDROXY-8-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-, HYDROCHLORIDE (1:1), (6S)-
Systematic Name English
BMS 442606 HYDROCHLORIDE
Code English
Code System Code Type Description
FDA UNII
ZF7MCG33V0
Created by admin on Fri Dec 15 15:36:24 UTC 2023 , Edited by admin on Fri Dec 15 15:36:24 UTC 2023
PRIMARY
PUBCHEM
91826494
Created by admin on Fri Dec 15 15:36:24 UTC 2023 , Edited by admin on Fri Dec 15 15:36:24 UTC 2023
PRIMARY
CAS
2108875-94-9
Created by admin on Fri Dec 15 15:36:24 UTC 2023 , Edited by admin on Fri Dec 15 15:36:24 UTC 2023
PRIMARY