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

Details

Stereochemistry RACEMIC
Molecular Formula C17H19N3O2
Molecular Weight 297.3517
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MIRTAZAPINE CARBOXYLIC ACID

SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)C(O)=O

InChI

InChIKey=HCVDLMUVEGPGGH-UHFFFAOYSA-N
InChI=1S/C17H19N3O2/c1-19-10-11-20(15(12-19)13-6-3-2-4-7-13)16-14(17(21)22)8-5-9-18-16/h2-9,15H,10-12H2,1H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C17H19N3O2
Molecular Weight 297.3517
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:27:51 GMT 2023
Edited
by admin
on Sat Dec 16 11:27:51 GMT 2023
Record UNII
U8BG6TXQ6L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MIRTAZAPINE CARBOXYLIC ACID
Common Name English
3-PYRIDINECARBOXYLIC ACID, 2-(4-METHYL-2-PHENYL-1-PIPERAZINYL)-
Systematic Name English
2-(4-METHYL-2-PHENYLPIPERAZIN-1-YL)NICOTINIC ACID
Common Name English
2-(4-METHYL-2-PHENYL-1-PIPERAZINYL)-3-PYRIDINECARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
9839188
Created by admin on Sat Dec 16 11:27:51 GMT 2023 , Edited by admin on Sat Dec 16 11:27:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID10431664
Created by admin on Sat Dec 16 11:27:51 GMT 2023 , Edited by admin on Sat Dec 16 11:27:51 GMT 2023
PRIMARY
CAS
61338-13-4
Created by admin on Sat Dec 16 11:27:51 GMT 2023 , Edited by admin on Sat Dec 16 11:27:51 GMT 2023
PRIMARY
FDA UNII
U8BG6TXQ6L
Created by admin on Sat Dec 16 11:27:51 GMT 2023 , Edited by admin on Sat Dec 16 11:27:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY