Mitomycin derivative T 41

HCID 98408

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Basic information

CAS: 16908-75-1
Standard SMILES: CNC1=C(C)C(=O)C2=C(C1=O)C(COC(N)=O)C1(O)C3C(CN21)N3C
InChIKey: ZEHZVDHXLLAACT-UHFFFAOYSA-N
Molecular formula: C16H20N4O5
Average molar mass: 348.35 g/mol
Monoisotopic mass: 348.14336975

Names & identifiers

Preferred name: Mitomycin derivative T 41
IUPAC: [7-hydroxy-5,12-dimethyl-11-(methylamino)-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Names & synonyms

Mitomycin derivative T 41NSC123110T 41NSC-123110NSC-329087MITOMYCIN DERIV T-41DTXSID00937584NSC329087MITOMYCIN C ,METHYLENE FROM STREPTOMYCES CAESPITOSUS[8a-Hydroxy-1,5-dimethyl-6-(methylamino)-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate[8a-Hydroxy-1,5-dimethyl-6-(methylamino)-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate16908-75-1

Database identifiers

CAS: 16908-75-1、21448-82-8
PubChem CID: 98408
DTXSID: DTXSID00937584

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 125 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 787

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