DAUNORUBICIN BROMOKETAL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H34BrNO11
Molecular Weight	652.484
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(CBr)(OC)OC)C(O)=C3C(=O)C2=CC=C1

InChI

InChIKey=JIMPRCTWUQVCIT-BJRCHLRVSA-N

InChI=1S/C29H34BrNO11/c1-12-23(32)15(31)8-18(41-12)42-17-10-28(37,29(11-30,39-3)40-4)9-14-20(17)27(36)22-21(25(14)34)24(33)13-6-5-7-16(38-2)19(13)26(22)35/h5-7,12,15,17-18,23,32,34,36-37H,8-11,31H2,1-4H3/t12-,15-,17-,18-,23+,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H34BrNO11
Molecular Weight	652.484
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 23:30:12 GMT 2025` Edited by `admin` on `Mon Mar 31 23:30:12 GMT 2025`
Record UNII	3Z1AE1LY2D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DAUNORUBICIN BROMO DIMETHYL KETAL

Preferred Name

English

DAUNORUBICIN BROMOKETAL

Common Name

English

(8S,10S)-10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-8-(2-BROMO-1,1-DIMETHOXYETHYL)-6,8,11-TRIHYDROXY-1-METHOXY-7,8,9,10-TETRAHYDROTETRACENE-5,12-DIONE

Systematic Name

English

VALRUBICIN IMPURITY, DAUNORUBICIN BROMOKETAL [USP IMPURITY]

Common Name

English

5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-8-(2-BROMO-1,1-DIMETHOXYETHYL)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-, (8S,10S)-

Systematic Name

English

Code System Code Type Description

CAS

106401-68-7

Created by admin on Mon Mar 31 23:30:12 GMT 2025 , Edited by admin on Mon Mar 31 23:30:12 GMT 2025

PRIMARY

EPA CompTox

DTXSID901099405

Created by admin on Mon Mar 31 23:30:12 GMT 2025 , Edited by admin on Mon Mar 31 23:30:12 GMT 2025

PRIMARY

PUBCHEM

72941581

Created by admin on Mon Mar 31 23:30:12 GMT 2025 , Edited by admin on Mon Mar 31 23:30:12 GMT 2025

PRIMARY

FDA UNII

3Z1AE1LY2D

Created by admin on Mon Mar 31 23:30:12 GMT 2025 , Edited by admin on Mon Mar 31 23:30:12 GMT 2025

PRIMARY

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