NEMORUBICIN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H37NO13.ClH
Molecular Weight	680.096
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(=O)C4=C(C=CC=C4OC)C3=O)C(O)=C12)C(=O)CO)O[C@H]5C[C@@H]([C@H](O)[C@H](C)O5)N6CCO[C@@H](C6)OC

InChI

InChIKey=DSXDXWLGVADASF-QQFKZXDBSA-N

InChI=1S/C32H37NO13.ClH/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39;/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3;1H/t14-,17-,19-,21-,22-,27+,32-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C32H37NO13
Molecular Weight	643.6351
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
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 `Fri Dec 15 15:52:17 UTC 2023` Edited by `admin` on `Fri Dec 15 15:52:17 UTC 2023`
Record UNII	2Q6F8JYX76
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEMORUBICIN HYDROCHLORIDE

Common Name

English

Nemorubicin hydrochloride [WHO-DD]

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-((2S)-2-METHOXY-4-MORPHOLINYL)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-, HYDROCHLORIDE, (8S,10S)-

Common Name

English

NEMORUBICIN HCL

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1594