Mitomycin J

6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-(5-hydroxy-6-methyl-4-piperidin-1-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

Also Known As: Mitomycin J|13,13-Dihydro-3'-(1-piperidinyl)-3'-deaminodaunorubicin hydrochloride|7,8,9,10-Tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione hydrochloride, (8S-cis)-|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride, (8S-cis)-|3,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(piperidin-1-yl)hexopyranoside--hydrogen chloride (1/1)|3,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-piperidin-1-ylhexopyranoside--hydrogen chloride (1/1)|6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-(5-hydroxy-6-methyl-4-piperidin-1-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride

Molecular Formula	C32H40ClNO10
Molecular Weight	633.2341 g/mol
LogP	2.7697
Topological Polar Surface Area	166.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	633.2341
Monoisotopic Mass	633.2341
Heavy Atoms	44
Complexity	1040.0

Chemical Identifiers

CAS Number	74985-08-3
SMILES	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(C)O)O)N6CCCCC6)O.Cl
InChIKey	UHGSEWHDUWVGGF-UHFFFAOYSA-N