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

Details

Stereochemistry MIXED
Molecular Formula C18H18N4O5
Molecular Weight 370.3593
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,P,P'-TRIHYDROXYMESOCARB

SMILES

CC(C(O)C1=CC=C(O)C=C1)[N+]2=NOC([N-]C(=O)NC3=CC=C(O)C=C3)=C2

InChI

InChIKey=ARXLABODQWEXMT-UHFFFAOYSA-N
InChI=1S/C18H18N4O5/c1-11(17(25)12-2-6-14(23)7-3-12)22-10-16(27-21-22)20-18(26)19-13-4-8-15(24)9-5-13/h2-11,17,21,25H,1H3,(H2,20,23,26)

HIDE SMILES / InChI

Molecular Formula C18H18N4O5
Molecular Weight 370.3593
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:41:30 GMT 2023
Edited
by admin
on Sat Dec 16 10:41:30 GMT 2023
Record UNII
5ESS0B718U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,P,P'-TRIHYDROXYMESOCARB
Common Name English
UREA, N-(3-(2-HYDROXY-2-(4-HYDROXYPHENYL)-1-METHYLETHYL)-1,2,3-OXADIAZOLIUM-5-YL)-N'-(4-HYDROXYPHENYL)-, INNER SALT
Systematic Name English
TRIHYDROXYMESOCARB
Common Name English
Code System Code Type Description
PUBCHEM
112500525
Created by admin on Sat Dec 16 10:41:30 GMT 2023 , Edited by admin on Sat Dec 16 10:41:30 GMT 2023
PRIMARY
CAS
1235586-22-7
Created by admin on Sat Dec 16 10:41:30 GMT 2023 , Edited by admin on Sat Dec 16 10:41:30 GMT 2023
PRIMARY
FDA UNII
5ESS0B718U
Created by admin on Sat Dec 16 10:41:30 GMT 2023 , Edited by admin on Sat Dec 16 10:41:30 GMT 2023
PRIMARY