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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H13N3O3
Molecular Weight 259.2606
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEMORADAN, (S)-

SMILES

C[C@H]1CC(=O)NN=C1C2=CC3=C(NC(=O)CO3)C=C2

InChI

InChIKey=XZPGINPFWXLYNW-ZETCQYMHSA-N
InChI=1S/C13H13N3O3/c1-7-4-11(17)15-16-13(7)8-2-3-9-10(5-8)19-6-12(18)14-9/h2-3,5,7H,4,6H2,1H3,(H,14,18)(H,15,17)/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H13N3O3
Molecular Weight 259.2606
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:09:31 GMT 2023
Edited
by admin
on Sat Dec 16 09:09:31 GMT 2023
Record UNII
A97945Z97N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BEMORADAN, (S)-
Common Name English
2H-1,4-BENZOXAZIN-3(4H)-ONE, 7-(1,4,5,6-TETRAHYDRO-4-METHYL-6-OXO-3-PYRIDAZINYL)-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
A97945Z97N
Created by admin on Sat Dec 16 09:09:31 GMT 2023 , Edited by admin on Sat Dec 16 09:09:31 GMT 2023
PRIMARY
CAS
145773-98-4
Created by admin on Sat Dec 16 09:09:31 GMT 2023 , Edited by admin on Sat Dec 16 09:09:31 GMT 2023
PRIMARY
PUBCHEM
76957206
Created by admin on Sat Dec 16 09:09:31 GMT 2023 , Edited by admin on Sat Dec 16 09:09:31 GMT 2023
PRIMARY
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