14-Bromodaunorubicin hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H28BrNO10.ClH
Molecular Weight	642.877
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 14-Bromodaunorubicin 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)CBr

InChI

InChIKey=QOPOFAIJIBFJRD-RUELKSSGSA-N

InChI=1S/C27H28BrNO10.ClH/c1-10-22(31)13(29)6-17(38-10)39-15-8-27(36,16(30)9-28)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,31,33,35-36H,6-9,29H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

14-Bromodaunorubicin hydrochloride

Common Name

English

14-Bromodaunomycin hydrochloride

Preferred Name

English

5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-?-L-lyxo-hexopyranosyl)oxy]-8-(bromoacetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-

Systematic Name

English

5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-?-L-lyxo-hexopyranosyl)oxy]-8-(2-bromoacetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride (1:1), (8S,10S)-

Systematic Name

English

L-lyxo-Hexopyranoside, 3-(bromoacetyl)-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-, hydrochloride, (1S,3S)-?-

Systematic Name

English

5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-?-L-lyxo-hexopyranosyl)oxy]-8-(bromoacetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S,10S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10995837

Created by admin on Wed Apr 02 17:21:02 GMT 2025 , Edited by admin on Wed Apr 02 17:21:02 GMT 2025

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CAS

29742-67-4

Created by admin on Wed Apr 02 17:21:02 GMT 2025 , Edited by admin on Wed Apr 02 17:21:02 GMT 2025

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FDA UNII