N-7-(2-(Nitrophenyldithio)ethyl)mitomycin C

[(4S,6S,7R,8S)-7-methoxy-12-methyl-11-[2-[(4-nitrophenyl)disulfanyl]ethylamino]-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

CAS: 95056-36-3

Molecular Formula	`C23H25N5O7S2`
Molecular Weight	547.6 g/mol
LogP	1.8
Topological Polar Surface Area	229.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	10
Exact Mass	547.11957
Heavy Atoms	37
Complexity	1080.0

Chemical Identifiers

CAS Number	95056-36-3
SMILES	`CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)NCCSSC5=CC=C(C=C5)[N+](=O)[O-]`
InChIKey	`ZNDJOCJUBZZAMN-USYHLRJESA-N`

📖 Product Overview

N-7-(2-(Nitrophenyldithio)ethyl)mitomycin C (CAS: 95056-36-3) is a chemical compound with molecular formula C23H25N5O7S2 and molecular weight 547.6 g/mol. Its IUPAC systematic name is [(4S,6S,7R,8S)-7-methoxy-12-methyl-11-[2-[(4-nitrophenyl)disulfanyl]ethylamino]-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate. LogP 1.8 Topological Polar Surface Area 229.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 12 Rotatable Bonds 10 Exact Mass 547.11957 Heavy Atoms 37 Complexity 1080.0 InChI Key: ZNDJOCJUBZZAMN-USYHLRJESA-N. SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)NCCSSC5=CC=C(C=C5)[N+](=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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