14-Bromodaunorubicin hydrobromide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H28BrNO10.BrH
Molecular Weight	687.328
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 14-Bromodaunorubicin hydrobromide

Structure Search

SMILES

Br.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=MYLSQMUXMDHPTM-RUELKSSGSA-N

InChI=1S/C27H28BrNO10.BrH/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 hydrobromide

Common Name

English

14-Bromodaunomycin hydrobromide

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-, hydrobromide, (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-, hydrobromide (1:1), (8S,10S)-

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-, hydrobromide, (8S,10S)-

Systematic Name

English

(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8-(2-bromoacetyl)-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrobromide

Systematic Name

English

Code System Code Type Description

FDA UNII

H9SSG355HK

Created by admin on Wed Apr 02 19:28:34 GMT 2025 , Edited by admin on Wed Apr 02 19:28:34 GMT 2025

PRIMARY

CAS

60873-68-9

Created by admin on Wed Apr 02 19:28:34 GMT 2025 , Edited by admin on Wed Apr 02 19:28:34 GMT 2025

PRIMARY

PUBCHEM