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Details

Stereochemistry MIXED
Molecular Formula C10H11NO3
Molecular Weight 193.1992
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CMBA DERIVATIVE

SMILES

OC1NC(=O)OCC1C2=CC=CC=C2

InChI

InChIKey=XZZMJRBYVRSAOS-UHFFFAOYSA-N
InChI=1S/C10H11NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13)

HIDE SMILES / InChI

Molecular Formula C10H11NO3
Molecular Weight 193.1992
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 13:46:56 GMT 2023
Edited
by admin
on Sat Dec 16 13:46:56 GMT 2023
Record UNII
F9XZ5A8H8W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CMBA DERIVATIVE
Common Name English
2H-1,3-OXAZIN-2-ONE, TETRAHYDRO-4-HYDROXY-5-PHENYL-
Systematic Name English
TETRAHYDRO-4-HYDROXY-5-PHENYL-2H-1,3-OXAZIN-2-ONE
Systematic Name English
Code System Code Type Description
CAS
183961-08-2
Created by admin on Sat Dec 16 13:46:57 GMT 2023 , Edited by admin on Sat Dec 16 13:46:57 GMT 2023
PRIMARY
PUBCHEM
21350392
Created by admin on Sat Dec 16 13:46:57 GMT 2023 , Edited by admin on Sat Dec 16 13:46:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID20612664
Created by admin on Sat Dec 16 13:46:57 GMT 2023 , Edited by admin on Sat Dec 16 13:46:57 GMT 2023
PRIMARY
FDA UNII
F9XZ5A8H8W
Created by admin on Sat Dec 16 13:46:57 GMT 2023 , Edited by admin on Sat Dec 16 13:46:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Forms from CMBA being present.