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

Details

Stereochemistry MIXED
Molecular Formula C11H17ClN2O2
Molecular Weight 244.718
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-Chloroethyl)-2,3,6,7,8,9-hexahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

SMILES

CC1N=C2C(O)CCCN2C(=O)C1CCCl

InChI

InChIKey=BFVWQNZGWQJWNS-UHFFFAOYSA-N
InChI=1S/C11H17ClN2O2/c1-7-8(4-5-12)11(16)14-6-2-3-9(15)10(14)13-7/h7-9,15H,2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H17ClN2O2
Molecular Weight 244.718
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:23:52 GMT 2025
Edited
by admin
on Wed Apr 02 20:23:52 GMT 2025
Record UNII
S5Q8UE568M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2,3,6,7,8,9-hexahydro-9-hydroxy-2-methyl-
Preferred Name English
3-(2-Chloroethyl)-2,3,6,7,8,9-hexahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Systematic Name English
Code System Code Type Description
FDA UNII
S5Q8UE568M
Created by admin on Wed Apr 02 20:23:52 GMT 2025 , Edited by admin on Wed Apr 02 20:23:52 GMT 2025
PRIMARY
CAS
1254249-86-9
Created by admin on Wed Apr 02 20:23:52 GMT 2025 , Edited by admin on Wed Apr 02 20:23:52 GMT 2025
PRIMARY
PUBCHEM
171390226
Created by admin on Wed Apr 02 20:23:52 GMT 2025 , Edited by admin on Wed Apr 02 20:23:52 GMT 2025
PRIMARY