14-Bromodaunorubicin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H28BrNO10
Molecular Weight	606.416
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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=KQRWYZDETCDVGB-TZSSRYMLSA-N

InChI=1S/C27H28BrNO10/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/t10-,13-,15-,17-,22+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H28BrNO10
Molecular Weight	606.416
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:40:33 GMT 2025` Edited by `admin` on `Mon Mar 31 23:40:33 GMT 2025`
Record UNII	2Z3A32JUA6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

14-Bromodaunomycin

Preferred Name

English

14-Bromodaunorubicin

Common 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-, (8S-cis)-

Systematic Name

English

(8S,10S)-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-5,12-naphthacenedione

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-, (8S,10S)-

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-, (8S,10S)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20215356

Created by admin on Mon Mar 31 23:40:33 GMT 2025 , Edited by admin on Mon Mar 31 23:40:33 GMT 2025

PRIMARY

CAS

65026-79-1

Created by admin on Mon Mar 31 23:40:33 GMT 2025 , Edited by admin on Mon Mar 31 23:40:33 GMT 2025

PRIMARY

PUBCHEM

3081543

Created by admin on Mon Mar 31 23:40:33 GMT 2025 , Edited by admin on Mon Mar 31 23:40:33 GMT 2025

PRIMARY

FDA UNII

2Z3A32JUA6

Created by admin on Mon Mar 31 23:40:33 GMT 2025 , Edited by admin on Mon Mar 31 23:40:33 GMT 2025

PRIMARY

Related Record Type Details


					H9SSG355HK

14-Bromodaunorubicin hydrobromide

SALT/SOLVATE -> PARENT

Amount:


					78Y3VQG5K6

14-Bromodaunorubicin hydrochloride

SALT/SOLVATE -> PARENT

Amount: