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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H25ClN2O3
Molecular Weight 412.909
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXYMETHYL LORATADINE

SMILES

CCOC(=O)N1CCC(CC1)=C2C3=C(CCC4=C2N=C(CO)C=C4)C=C(Cl)C=C3

InChI

InChIKey=XTEULJRKHVVHLA-UHFFFAOYSA-N
InChI=1S/C23H25ClN2O3/c1-2-29-23(28)26-11-9-15(10-12-26)21-20-8-6-18(24)13-17(20)4-3-16-5-7-19(14-27)25-22(16)21/h5-8,13,27H,2-4,9-12,14H2,1H3

HIDE SMILES / InChI

Molecular Formula C23H25ClN2O3
Molecular Weight 412.909
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 Sat Dec 16 10:38:06 UTC 2023
Edited
by admin
on Sat Dec 16 10:38:06 UTC 2023
Record UNII
ST4DXF8D32
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXYMETHYL LORATADINE
Common Name English
ETHYL 4-(8-CHLORO-5,6-DIHYDRO-2-(HYDROXYMETHYL)-11H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDIN-11-YLIDENE)-1-PIPERIDINECARBOXYLATE
Systematic Name English
1-PIPERIDINECARBOXYLIC ACID, 4-(8-CHLORO-5,6-DIHYDRO-2-(HYDROXYMETHYL)-11H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDIN-11-YLIDENE)-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40652608
Created by admin on Sat Dec 16 10:38:06 UTC 2023 , Edited by admin on Sat Dec 16 10:38:06 UTC 2023
PRIMARY
CAS
609806-39-5
Created by admin on Sat Dec 16 10:38:06 UTC 2023 , Edited by admin on Sat Dec 16 10:38:06 UTC 2023
PRIMARY
FDA UNII
ST4DXF8D32
Created by admin on Sat Dec 16 10:38:06 UTC 2023 , Edited by admin on Sat Dec 16 10:38:06 UTC 2023
PRIMARY
PUBCHEM
29981724
Created by admin on Sat Dec 16 10:38:06 UTC 2023 , Edited by admin on Sat Dec 16 10:38:06 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY