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.[H][C@@]1(C[C@@H]([C@H](O)[C@H](C)O1)N2CCOCC2)O[C@H]3C[C@@](O)(CC4=C(O)C5=C(C(=O)C6=C(OC)C=CC=C6C5=O)C(O)=C34)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

Molecular Formula	C31H35NO12
Molecular Weight	613.6091
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:02:46 GMT 2023` Edited by `admin` on `Sat Dec 16 08:02:46 GMT 2023`
Record UNII	4C093205SR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

NSC-354646

Code

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