7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C

Base Information

• Chemical Name: 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C
• CAS No.: 118359-59-4
• Molecular Formula: C24H34 N6 O8 S2
• Molecular Weight: 598.76
• UNII: AK8DKI0KMN
• DSSTox Substance ID: DTXSID10922668
• Nikkaji Number: J359.195F
• Wikidata: Q76009963
• NCI Thesaurus Code: C1140
• Mol file: 118359-59-4.mol

Synonyms:7-N-(2-((2-(gamma-glutamylamino)ethyl)dithio)ethyl)mitomycin C;KT 6149;KT-6149;KW 2149;KW-2149

Chemical Property of 7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 909°Cat760mmHg
• Flash Point: 503.5°C
• PSA: 280.40000
• Density: 1.52g/cm³
• LogP: 1.38140
• XLogP3: -3.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 16
• Exact Mass: 598.18795441
• Heavy Atom Count: 40
• Complexity: 1160

Purity/Quality:

99% ^*data from raw suppliers

7-N-((2-((2-(R-L-GLUTAMYLAMINO)ETHYL)DITHIO)ETHYL))MITOMYCIN C 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: A poison.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)NCCSSCCNC(=O)CCC(C(=O)O)N
• Isomeric SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)NCCSSCCNC(=O)CC[C@@H](C(=O)O)N