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Details

Stereochemistry ACHIRAL
Molecular Formula C11H10N4O3S.ClH
Molecular Weight 314.748
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-{3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzene-1,2,3-triol hydrochloride

SMILES

Cl.CC1=NN=C2SCC(=NN12)C3=C(O)C(O)=C(O)C=C3

InChI

InChIKey=GMQXWRCXHDTGII-UHFFFAOYSA-N
InChI=1S/C11H10N4O3S.ClH/c1-5-12-13-11-15(5)14-7(4-19-11)6-2-3-8(16)10(18)9(6)17;/h2-3,16-18H,4H2,1H3;1H

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 C11H10N4O3S
Molecular Weight 278.287
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 12:38:30 GMT 2023
Edited
by admin
on Sat Dec 16 12:38:30 GMT 2023
Record UNII
8Q49TGU2FV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-{3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzene-1,2,3-triol hydrochloride
Systematic Name English
1,2,3-Benzenetriol, 4-(3-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl)-, hydrochloride (1:1)
Systematic Name English
NSC-320038
Code English
1,2,3-BENZENETRIOL, 4-(3-METHYL-7H-1,2,4-TRIAZOLO(3,4-B)(1,3,4)THIADIAZIN-6-YL)-, MONOHYDROCHLORIDE
Common Name English
Code System Code Type Description
NSC
320038
Created by admin on Sat Dec 16 12:38:30 GMT 2023 , Edited by admin on Sat Dec 16 12:38:30 GMT 2023
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PUBCHEM
465218
Created by admin on Sat Dec 16 12:38:30 GMT 2023 , Edited by admin on Sat Dec 16 12:38:30 GMT 2023
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EPA CompTox
DTXSID10989599
Created by admin on Sat Dec 16 12:38:30 GMT 2023 , Edited by admin on Sat Dec 16 12:38:30 GMT 2023
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CAS
69560-92-5
Created by admin on Sat Dec 16 12:38:30 GMT 2023 , Edited by admin on Sat Dec 16 12:38:30 GMT 2023
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FDA UNII
8Q49TGU2FV
Created by admin on Sat Dec 16 12:38:30 GMT 2023 , Edited by admin on Sat Dec 16 12:38:30 GMT 2023
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