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Details

Stereochemistry RACEMIC
Molecular Formula C21H31N5O3.ClH
Molecular Weight 437.963
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

Cl.OC1C(=O)N(CCCCN2CCN(CC2)C3=NC=CC=N3)C(=O)CC14CCCC4

InChI

InChIKey=QQVBLEXAVSAUDT-UHFFFAOYSA-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

HIDE SMILES / InChI

Molecular Formula C21H31N5O3
Molecular Weight 401.5025
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 15:28:19 GMT 2023
Edited
by admin
on Fri Dec 15 15:28:19 GMT 2023
Record UNII
00ZU2UNK84
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-HYDROXYBUSPIRONE HYDROCHLORIDE, (±)-
Common Name English
Code System Code Type Description
CAS
2108825-99-4
Created by admin on Fri Dec 15 15:28:19 GMT 2023 , Edited by admin on Fri Dec 15 15:28:19 GMT 2023
PRIMARY
CAS
477930-34-0
Created by admin on Fri Dec 15 15:28:19 GMT 2023 , Edited by admin on Fri Dec 15 15:28:19 GMT 2023
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
10310292
Created by admin on Fri Dec 15 15:28:19 GMT 2023 , Edited by admin on Fri Dec 15 15:28:19 GMT 2023
PRIMARY
FDA UNII
00ZU2UNK84
Created by admin on Fri Dec 15 15:28:19 GMT 2023 , Edited by admin on Fri Dec 15 15:28:19 GMT 2023
PRIMARY