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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H9N3O2S.2ClH
Molecular Weight 260.141
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOHISTIDINE DIHYDROCHLORIDE

SMILES

Cl.Cl.N[C@@H](CC1=CNC(=S)N1)C(O)=O

InChI

InChIKey=RMSOCEBJGYRNIQ-FHNDMYTFSA-N
InChI=1S/C6H9N3O2S.2ClH/c7-4(5(10)11)1-3-2-8-6(12)9-3;;/h2,4H,1,7H2,(H,10,11)(H2,8,9,12);2*1H/t4-;;/m0../s1

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 C6H9N3O2S
Molecular Weight 187.22
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 09:17:11 GMT 2023
Edited
by admin
on Sat Dec 16 09:17:11 GMT 2023
Record UNII
U6N65OP6R8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIOHISTIDINE DIHYDROCHLORIDE
Systematic Name English
L-2-THIOLHISTIDINE DIHYDROCHLORIDE
Common Name English
1H-IMIDAZOLE-4-PROPANOIC ACID, .ALPHA.-AMINO-2,3-DIHYDRO-2-THIOXO-, DIHYDROCHLORIDE, (S)-
Systematic Name English
2-THIOLHISTIDINE L-FORM DIHYDROCHLORIDE [MI]
Common Name English
Code System Code Type Description
FDA UNII
U6N65OP6R8
Created by admin on Sat Dec 16 09:17:11 GMT 2023 , Edited by admin on Sat Dec 16 09:17:11 GMT 2023
PRIMARY
PUBCHEM
76972538
Created by admin on Sat Dec 16 09:17:11 GMT 2023 , Edited by admin on Sat Dec 16 09:17:11 GMT 2023
PRIMARY
CAS
97589-45-2
Created by admin on Sat Dec 16 09:17:11 GMT 2023 , Edited by admin on Sat Dec 16 09:17:11 GMT 2023
PRIMARY