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801-52-5

Basic Information
CAS No.: 801-52-5
Name: Porfiromycin
Article Data: 7
Molecular Structure:
Molecular Structure of 801-52-5 (Porfiromycin)
Formula: C16H20 N4 O5
Molecular Weight: 348.359
Synonyms: Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-1,5-dimethyl-,carbamate (ester) (8CI); Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-1,5-dimethyl-,[1aS-(1aa,8b,8aa,8ba)]-; ENT 50825; Methyl mitomycinC; Methylmitomycin; N-Methylmitomycin C; NCI 56410; NSC 56410; Porfiromycin;Porfiromycine; Regamycin; U 14743
Density: 1.52g/cm3
Melting Point: 201.25°C (rough estimate)
Boiling Point: 560.9°C at 760 mmHg
Flash Point: 293°C
Safety: Poison by ingestion, intravenous, subcutaneous, and intraperitoneal routes. Human systemic effects by intravenous route: blood effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 127.96000
LogP: -0.03260
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Chemistry

Product Name: N-Methylmitomycin C   
Synonyms of N-Methylmitomycin C (CAS NO.801-52-5) : (1aR-(1aa,8b,8aa,8ba))-6-Amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-1,5-dimethylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione ; [(1aS,8S,8aR,8bS)-6-Amino-8a-methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate ; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-1,5-dimethyl-, (1aS,8S,8aR,8bS)-
InChI: InChI=1/C16H20N4O5/c1-6-10(17)13(22)9-7(5-25-15(18)23)16(24-3)14-8(19(14)2)4-20(16)11(9)12(6)21/h7-8,14H,4-5,17H2,1-3H3,(H2,18,23)/t7-,8+,14+,16-,19?/m1/s1 
CAS NO: 801-52-5   
Molecular Formula:C16H20N4O5                               
Molecular Weight :348.3538                                        
Molecular Structure :
Index of Refraction: 1.672    
Surface Tension: 74.4 dyne/cm 
Density: 1.52 g/cm3 
Flash Point: 293 °C 
Enthalpy of Vaporization: 84.35 kJ/mol 
Boiling Point: 560.9 °C at 760 mmHg 
Vapour Pressure: 1.31E-12 mmHg at 25°C 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo oral 10mg/kg (10mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

BLOOD: GRANULOCYTOPENIA
Antibiotics and Chemotherapy Vol. 11, Pg. 445, 1961.
human TDLo intravenous 1500ug/kg (1.5mg/kg) BLOOD: LEUKOPENIA

BLOOD: THROMBOCYTOPENIA
Cancer Chemotherapy Reports, Part 1. Vol. 56, Pg. 615, 1972.
monkey LD oral > 10mg/kg (10mg/kg) BLOOD: GRANULOCYTOPENIA Antibiotics and Chemotherapy Vol. 11, Pg. 445, 1961.
mouse LD50 intraperitoneal 44mg/kg (44mg/kg)   Cancer Chemotherapy Reports. Vol. 30, Pg. 9, 1963.
mouse LD50 intravenous 55mg/kg (55mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 103, 1971.
mouse LD50 oral 88660ug/kg (88.66mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 subcutaneous 53500ug/kg (53.5mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat LD50 oral 68mg/kg (68mg/kg)   "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.

Safety Profile

 N-Methylmitomycin C (CAS NO.801-52-5) is poisonous by ingestion, intravenous, subcutaneous, and intraperitoneal routes. Human systemic effects by intravenous route: blood effects. Human mutation data reported. When N-Methylmitomycin C (CAS NO.801-52-5) is heated to decomposition, it emits toxic fumes of NOx.