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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14BrN5O4S.ClH
Molecular Weight 488.743
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BENZENESULFONIC ACID, 2-METHYL-5-NITRO-, 2-((6-BROMOIMIDAZO(1,2-A)PYRIDIN-3-YL)METHYLENE)-1-METHYLHYDRAZIDE, HYDROCHLORIDE (1:1)

SMILES

Cl.CN(\N=C\C1=CN=C2C=CC(Br)=CN12)S(=O)(=O)C3=CC(=CC=C3C)[N+]([O-])=O

InChI

InChIKey=VOUDEIAYNKZQKM-MYHMWQFYSA-N
InChI=1S/C16H14BrN5O4S.ClH/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16;/h3-10H,1-2H3;1H/b19-9+;

HIDE SMILES / InChI

Molecular Formula C16H14BrN5O4S
Molecular Weight 452.282
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:50:11 UTC 2023
Edited
by admin
on Sat Dec 16 10:50:11 UTC 2023
Record UNII
7GH4IC9PLL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENESULFONIC ACID, 2-METHYL-5-NITRO-, 2-((6-BROMOIMIDAZO(1,2-A)PYRIDIN-3-YL)METHYLENE)-1-METHYLHYDRAZIDE, HYDROCHLORIDE (1:1)
Systematic Name English
BENZENESULFONIC ACID, 2-METHYL-5-NITRO-, (2E)-2-((6-BROMOIMIDAZO(1,2-A)PYRIDIN-3-YL)METHYLENE)-1-METHYLHYDRAZIDE, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1462995-14-7
Created by admin on Sat Dec 16 10:50:11 UTC 2023 , Edited by admin on Sat Dec 16 10:50:11 UTC 2023
PRIMARY
CAS
372196-77-5
Created by admin on Sat Dec 16 10:50:11 UTC 2023 , Edited by admin on Sat Dec 16 10:50:11 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
45265864
Created by admin on Sat Dec 16 10:50:11 UTC 2023 , Edited by admin on Sat Dec 16 10:50:11 UTC 2023
PRIMARY
FDA UNII
7GH4IC9PLL
Created by admin on Sat Dec 16 10:50:11 UTC 2023 , Edited by admin on Sat Dec 16 10:50:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID50669843
Created by admin on Sat Dec 16 10:50:11 UTC 2023 , Edited by admin on Sat Dec 16 10:50:11 UTC 2023
PRIMARY
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ACTIVE MOIETY