5-Iminodoxorubicin

10-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one;hydrochloride

Also Known As: 5-Iminodoxorubicin|5-Iminodoxorubicin hydrochloride|11-amino-1-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-3,6-dihydroxy-3-(2-hydroxyacetyl)-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione hydrochloride|5(8H)-Naphthacenone, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-12-imino-1-methoxy-, monohydrochloride, (8S-cis)-|5(8H)-Naphthacenone, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-12-imino-1-methoxy-, monohydrochloride, (8S-cis)-|5(8H)-Naphthacenone, 7,9,10,12-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(hydroxyacetyl)-12-imino-1-methoxy-6,8,11-trihydroxy-, monohydrochloride, (8S-cis)-

Molecular Formula	C27H31ClN2O10
Molecular Weight	578.16675 g/mol
LogP	0.60827
Topological Polar Surface Area	213.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	12
Rotatable Bonds	5
Exact Mass	578.16675
Monoisotopic Mass	578.16675
Heavy Atoms	40
Complexity	980.0

Chemical Identifiers

CAS Number	77331-69-2
SMILES	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl
InChIKey	KHCRLBOOAMTXBC-UHFFFAOYSA-N