8-Desacetyl-8-carboxy daunorubicin hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H27NO11.ClH
Molecular Weight	565.954
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-Desacetyl-8-carboxy daunorubicin 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](N)[C@H](O)[C@H](C)O5)C4=C3O)C(O)=O

InChI

InChIKey=HUXYGCZFLAONTF-BBIPQCLFSA-N

InChI=1S/C26H27NO11.ClH/c1-9-20(28)12(27)6-15(37-9)38-14-8-26(35,25(33)34)7-11-17(14)24(32)19-18(22(11)30)21(29)10-4-3-5-13(36-2)16(10)23(19)31;/h3-5,9,12,14-15,20,28,30,32,35H,6-8,27H2,1-2H3,(H,33,34);1H/t9-,12-,14-,15-,20+,26-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C26H27NO11
Molecular Weight	529.4927
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 `Wed Apr 02 17:37:39 GMT 2025` Edited by `admin` on `Wed Apr 02 17:37:39 GMT 2025`
Record UNII	88VXP8B5SD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,4S)-4-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid hydrochloride

Preferred Name

English

8-Desacetyl-8-carboxy daunorubicin hydrochloride

Systematic Name

English

2-Naphthacenecarboxylic acid, 4-[(3-amino-2,3,6-trideoxy-?-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-, hydrochloride, (2S-cis)-

Systematic Name

English

Code System Code Type Description

FDA UNII

88VXP8B5SD

Created by admin on Wed Apr 02 17:37:39 GMT 2025 , Edited by admin on Wed Apr 02 17:37:39 GMT 2025

PRIMARY

PUBCHEM

90677554

Created by admin on Wed Apr 02 17:37:39 GMT 2025 , Edited by admin on Wed Apr 02 17:37:39 GMT 2025

PRIMARY

EPA CompTox

DTXSID10973756

Created by admin on Wed Apr 02 17:37:39 GMT 2025 , Edited by admin on Wed Apr 02 17:37:39 GMT 2025

PRIMARY

CAS

58199-96-5

Created by admin on Wed Apr 02 17:37:39 GMT 2025 , Edited by admin on Wed Apr 02 17:37:39 GMT 2025

PRIMARY

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8-Desacetyl-8-carboxy daunorubicin

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