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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H26N2O3.ClH
Molecular Weight 342.861
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROXATIDINE HYDROCHLORIDE

SMILES

Cl.OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1

InChI

InChIKey=DPCZALPCMCPHAK-UHFFFAOYSA-N
InChI=1S/C17H26N2O3.ClH/c20-14-17(21)18-8-5-11-22-16-7-4-6-15(12-16)13-19-9-2-1-3-10-19;/h4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21);1H

HIDE SMILES / InChI

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

Molecular Formula C17H26N2O3
Molecular Weight 306.3999
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 18:06:51 UTC 2023
Edited
by admin
on Fri Dec 15 18:06:51 UTC 2023
Record UNII
8MN79F61ZI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROXATIDINE HYDROCHLORIDE
Common Name English
HOE-062
Code English
ACETAMIDE, 2-HYDROXY-N-(3-(3-(1-PIPERIDINYLMETHYL)PHENOXY)PROPYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
ROXATIDINE HCL
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80913548
Created by admin on Fri Dec 15 18:06:51 UTC 2023 , Edited by admin on Fri Dec 15 18:06:51 UTC 2023
PRIMARY
CAS
97900-88-4
Created by admin on Fri Dec 15 18:06:51 UTC 2023 , Edited by admin on Fri Dec 15 18:06:51 UTC 2023
PRIMARY
PUBCHEM
178998
Created by admin on Fri Dec 15 18:06:51 UTC 2023 , Edited by admin on Fri Dec 15 18:06:51 UTC 2023
PRIMARY
FDA UNII
8MN79F61ZI
Created by admin on Fri Dec 15 18:06:51 UTC 2023 , Edited by admin on Fri Dec 15 18:06:51 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY