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Basic Information
CAS No.: 83997-16-4
Name: (S)-D-Phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-L-pro linamide sulfate (1:1)
Molecular Structure:
Molecular Structure of 83997-16-4 ((S)-D-Phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-L-pro linamide sulfate (1:1))
Formula: C20H30N5O3•H2O4S
Molecular Weight: 500.576
Synonyms: (S)-D-Phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-L-pro linamide sulfate (1:1)
Safety: Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and SOx.
PSA: 240.87000
LogP: 2.59180
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Chemistry

Empirical Formula of GYKI 14166 (CAS NO.83997-16-4): C20H32N6O7S
Molecular Weight: 500.5691
Structure of GYKI 14166 (CAS NO.83997-16-4):
                       
IUPAC Name: (2S)-N-[(2R)-2-Amino-3-phenylpropanoyl]-1-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide ; Sulfuric acid
Canonical SMILES: C1CC(N(C1)C(CCCN=C(N)N)C=O)C(=O)NC(=O)C(CC2=CC=CC=C2)N.OS(=O)(=O)O
Isomeric SMILES: C1C[C@H](N(C1)[C@@H](CCCN=C(N)N)C=O)C(=O)NC(=O)[C@@H](CC2=CC=CC=C2)N.OS(=O)(=O)O
InChI: InChI=1S/C20H30N6O3.H2O4S/c21-16(12-14-6-2-1-3-7-14)18(28)25-19(29)17-9-5-11-26(17)15(13-27)8-4-10-24-20(22)23;1-5(2,3)4/h1-3,6-7,13,15-17H,4-5,8-12,21H2,(H4,22,23,24)(H,25,28,29);(H2,1,2,3,4)/t15-,16+,17-;/m0./s1
InChIKey: RMYMBMLRPYLYDX-VNMUXGFYSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:1250 mg/kg

     DRFUD4    Drugs of the Future. 10 (1985),829.
2.    

ipr-mus LD50:225 mg/kg

     DRFUD4    Drugs of the Future. 10 (1985),829.
3.    

ivn-mus LD50:45 mg/kg

     DRFUD4    Drugs of the Future. 10 (1985),829.

Safety Profile

Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition GYKI 14166 (CAS NO.83997-16-4) emits toxic fumes of NOx and SOx.

Specification

 GYKI 14166 , its cas register number is 83997-16-4. It also can be called RGH-2958 ; (S)-D-Phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-L-prolinamide sulfate (1:1) ; L-Prolinamide, N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-D-phenylalanyl-, sulfate, (S)- ; and D-Phenylalanyl-L-prolyl-L-arginine aldehyde sulfate (1:1) .