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Details

Stereochemistry ACHIRAL
Molecular Formula C15H14N2O6.ClH
Molecular Weight 354.742
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SKF-78729A

SMILES

Cl.CC(=O)C1=C(O)\C(=C(\C)NC2=CC=C(O)C(N)=C2)C(=O)OC1=O

InChI

InChIKey=SZIVIUGZEGATTN-ICSBZGNSSA-N
InChI=1S/C15H14N2O6.ClH/c1-6(17-8-3-4-10(19)9(16)5-8)11-13(20)12(7(2)18)15(22)23-14(11)21;/h3-5,17,19-20H,16H2,1-2H3;1H/b11-6+;

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 C15H14N2O6
Molecular Weight 318.2815
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:19:11 GMT 2023
Edited
by admin
on Fri Dec 15 15:19:11 GMT 2023
Record UNII
67DEL54DAL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SKF-78729A
Common Name English
2H-PYRAN-2,6(3H)-DIONE, 5-ACETYL-3-(1-((3-AMINO-4-HYDROXYPHENYL)AMINO)ETHYLIDENE)-4-HYDROXY-, HYDROCHLORIDE (1:1)
Systematic Name English
2H-PYRAN-2,6(3H)-DIONE, 5-ACETYL-3-(1-((3-AMINO-4-HYDROXYPHENYL)AMINO)ETHYLIDENE)-4-HYDROXY-, MONOHYDROCHLORIDE
Systematic Name English
5-ACETYL-4-HYDROXY-3-(1-((3-AMINO-4-HYDROXYPHENYL)AMINO)ETHYLIDENE) 2H-PYRAN-2,6(3H)-DIONE HYDROCHLORIDE MONOHYDRATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
264-838-0
Created by admin on Fri Dec 15 15:19:11 GMT 2023 , Edited by admin on Fri Dec 15 15:19:11 GMT 2023
PRIMARY
PUBCHEM
54692985
Created by admin on Fri Dec 15 15:19:11 GMT 2023 , Edited by admin on Fri Dec 15 15:19:11 GMT 2023
PRIMARY
FDA UNII
67DEL54DAL
Created by admin on Fri Dec 15 15:19:11 GMT 2023 , Edited by admin on Fri Dec 15 15:19:11 GMT 2023
PRIMARY
CAS
64353-91-9
Created by admin on Fri Dec 15 15:19:11 GMT 2023 , Edited by admin on Fri Dec 15 15:19:11 GMT 2023
PRIMARY
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