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Details

Stereochemistry RACEMIC
Molecular Formula 2C10H11N3O2.H2O
Molecular Weight 428.4418
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRYPTAZAN HEMIHYDRATE

SMILES

O.NC(CC1=C2C=CC=CC2=NN1)C(O)=O.NC(CC3=C4C=CC=CC4=NN3)C(O)=O

InChI

InChIKey=QTJCYRHLZRAPOY-UHFFFAOYSA-N
InChI=1S/2C10H11N3O2.H2O/c2*11-7(10(14)15)5-9-6-3-1-2-4-8(6)12-13-9;/h2*1-4,7H,5,11H2,(H,12,13)(H,14,15);1H2

HIDE SMILES / InChI

Molecular Formula C10H11N3O2
Molecular Weight 205.2132
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula H2O
Molecular Weight 18.0153
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 08:26:55 GMT 2023
Edited
by admin
on Sat Dec 16 08:26:55 GMT 2023
Record UNII
943IGP75DS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRYPTAZAN HEMIHYDRATE
MI  
Common Name English
TRYPTAZAN 0.5 HYDRATE
Common Name English
1H-INDAZOLE-3-ALANINE, HEMIHYDRATE, DL-
Common Name English
1H-INDAZOLE-3-PROPANOIC ACID, .ALPHA.-AMINO-, HYDRATE (2:1), (±)-
Systematic Name English
TRYPTAZAN HEMIHYDRATE [MI]
Common Name English
TRYPTAZAN HEMIHYDRATE, (±)-
Common Name English
Code System Code Type Description
PUBCHEM
91667947
Created by admin on Sat Dec 16 08:26:55 GMT 2023 , Edited by admin on Sat Dec 16 08:26:55 GMT 2023
PRIMARY
FDA UNII
943IGP75DS
Created by admin on Sat Dec 16 08:26:55 GMT 2023 , Edited by admin on Sat Dec 16 08:26:55 GMT 2023
PRIMARY
CAS
6159-32-6
Created by admin on Sat Dec 16 08:26:55 GMT 2023 , Edited by admin on Sat Dec 16 08:26:55 GMT 2023
PRIMARY
MERCK INDEX
m982
Created by admin on Sat Dec 16 08:26:55 GMT 2023 , Edited by admin on Sat Dec 16 08:26:55 GMT 2023
PRIMARY Merck Index
Related Record Type Details
ANHYDROUS->SOLVATE