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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H17Cl2NO5
Molecular Weight 398.237
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-49816

SMILES

CCOC(=O)COC1=CC=C(C(=O)C2=CC=C(O)C(CN)=C2)C(Cl)=C1Cl

InChI

InChIKey=KWDSYQYCWWCCAV-UHFFFAOYSA-N
InChI=1S/C18H17Cl2NO5/c1-2-25-15(23)9-26-14-6-4-12(16(19)17(14)20)18(24)10-3-5-13(22)11(7-10)8-21/h3-7,22H,2,8-9,21H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H17Cl2NO5
Molecular Weight 398.237
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:57:08 GMT 2023
Edited
by admin
on Sat Dec 16 01:57:08 GMT 2023
Record UNII
898P546L4I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-49816
Common Name English
ACETIC ACID, (4-(3-(AMINOMETHYL)-4-HYDROXYBENZOYL)-2,3-DICHLOROPHENOXY)-, ETHYL ESTER
Common Name English
ABBOTT 49816
Code English
ETHYL (2,3-DICHLORO-4-(3-AMINOMETHYL-4-HYDROXYBENZOYL)PHENOXY)ACETATE
Systematic Name English
A 49816
Code English
Code System Code Type Description
CAS
78235-72-0
Created by admin on Sat Dec 16 01:57:08 GMT 2023 , Edited by admin on Sat Dec 16 01:57:08 GMT 2023
PRIMARY
PUBCHEM
132835
Created by admin on Sat Dec 16 01:57:08 GMT 2023 , Edited by admin on Sat Dec 16 01:57:08 GMT 2023
PRIMARY
FDA UNII
898P546L4I
Created by admin on Sat Dec 16 01:57:08 GMT 2023 , Edited by admin on Sat Dec 16 01:57:08 GMT 2023
PRIMARY
MESH
C054819
Created by admin on Sat Dec 16 01:57:08 GMT 2023 , Edited by admin on Sat Dec 16 01:57:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID70228911
Created by admin on Sat Dec 16 01:57:08 GMT 2023 , Edited by admin on Sat Dec 16 01:57:08 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT