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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Porphyromycin, Mls000766209, Mitomycin c, n-methyl-, Methylmitomycin, Chembl1983333, Methyl mitomycin c

Molecular Formula

C₁₆H₂₀N₄O₅

Molecular Weight

348.35 g/mol

InChI Key

HRHKSTOGXBBQCB-UHFFFAOYSA-N

1 2D Structure

Porfiromycin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(11-amino-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl carbamate

2.1.2 InChI

InChI=1S/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)

2.1.3 InChI Key

HRHKSTOGXBBQCB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Porphyromycin

2. Mls000766209

3. Mitomycin C, N-methyl-

4. Methylmitomycin

5. Chembl1983333

6. Methyl Mitomycin C

7. Nsc56410

8. Regamycin

9. Ent-50825

10. Nsc 56410

11. Profiromycin

12. Neuro_000023

13. Schembl5047

14. Chebi:182803

15. Hms2270b05

16. 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)

17. Bdbm50235885

18. Akos030254763

19. Ncgc00246835-01

20. Nci60_004377

21. Smr000528838

22. U 14743

23. Ft-0673976

24. Wln: T D3 B556 Bn En Jv Mvttt&j E1 Go1 H1ovz Kz L1

25. (11-amino-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl Carbamate

26. (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

27. (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 #

28. 1-methyl-6-amino-8a-methoxy-8-[(carbamoyloxy)methyl]-5-methyl-1,1a,2,8,8a,8b-hexahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione

29. 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-1,5-dimethylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dionecarbamate (ester)

30. 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

31. 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)-

32. 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-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-

33. Azirino[2',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)

34. Azirino[2',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-,[1ar-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₀N₄O₅
Molecular Weight	348.35 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	348.14336975 g/mol
Monoisotopic Mass	348.14336975 g/mol
Topological Polar Surface Area	128 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	787
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1