MORPHOLINODOXORUBICIN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H35NO12.ClH
Molecular Weight	650.07
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MORPHOLINODOXORUBICIN HYDROCHLORIDE

Structure Search

SMILES

Cl.COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(O)=C4C[C@](O)(C[C@H](O[C@H]5C[C@@H]([C@H](O)[C@H](C)O5)N6CCOCC6)C4=C3O)C(=O)CO

InChI

InChIKey=INAUWOVKEZHHDM-PEDBPRJASA-N

InChI=1S/C31H35NO12.ClH/c1-14-26(35)17(32-6-8-42-9-7-32)10-21(43-14)44-19-12-31(40,20(34)13-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-4-3-5-18(41-2)22(15)29(25)38;/h3-5,14,17,19,21,26,33,35,37,39-40H,6-13H2,1-2H3;1H/t14-,17-,19-,21-,26+,31-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

NSC-354646

Preferred Name

English

MORPHOLINODOXORUBICIN HYDROCHLORIDE

Common Name

English

5,12-NAPHTHACENEDIONE, 7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-10-((2,3,6-TRIDEOXY-3-(4-MORPHOLINYL)-.ALPHA.-LYXO-HEXOPYRANOSYL)OXY)-, HYDROCHLORIDE, (8S-CIS)-

Systematic Name

English

5,12-NAPHTHACENEDIONE, 7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(2-HYDROXYACETYL)-1-METHOXY-10-((2,3,6-TRIDEOXY-3-(4-MORPHOLINYL)-.ALPHA.-LYXO-HEXOPYRANOSYL)OXY)-, HYDROCHLORIDE (1:1), (8S,10S)-

Systematic Name

English

5,12-NAPHTHACENEDIONE, 7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-10-((2,3,6-TRIDEOXY-3-(4-MORPHOLINYL)-.ALPHA.-LYXO-HEXOPYRANOSYL)OXY)-, HYDROCHLORIDE, (8S,10S)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID501008694