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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H31N5O3
Molecular Weight 401.5025
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=KOZNAHJIJGCFJJ-SFHVURJKSA-N
InChI=1S/C21H31N5O3/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/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H31N5O3
Molecular Weight 401.5025
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P08908
Gene ID: 3350.0
Gene Symbol: HTR1A
Target Organism: Homo sapiens (Human)
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:04:20 GMT 2023
Edited
by admin
on Sat Dec 16 08:04:20 GMT 2023
Record UNII
93881477KV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-HYDROXYBUSPIRONE, (6R)-
Common Name English
BMS-442608
Common Name English
8-AZASPIRO(4.5)DECANE-7,9-DIONE, 6-HYDROXY-8-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-, (6R)-
Systematic Name English
(R)-6-HYDROXYBUSPIRONE
Common Name English
Code System Code Type Description
FDA UNII
93881477KV
Created by admin on Sat Dec 16 08:04:20 GMT 2023 , Edited by admin on Sat Dec 16 08:04:20 GMT 2023
PRIMARY
CAS
477930-30-6
Created by admin on Sat Dec 16 08:04:20 GMT 2023 , Edited by admin on Sat Dec 16 08:04:20 GMT 2023
PRIMARY
PUBCHEM
9865794
Created by admin on Sat Dec 16 08:04:20 GMT 2023 , Edited by admin on Sat Dec 16 08:04:20 GMT 2023
PRIMARY