DAUNORUBICIN BROMOKETAL HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H34BrNO11.ClH
Molecular Weight	688.945
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DAUNORUBICIN BROMOKETAL HYDROCHLORIDE

Structure Search

SMILES

Cl.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=KVHBXGNABYFKOE-WCXDDYHESA-N

InChI=1S/C29H34BrNO11.ClH/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;1H/t12-,15-,17-,18-,23+,28-;/m0./s1

HIDE SMILES / InChI

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

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 23:18:08 GMT 2025` Edited by `admin` on `Mon Mar 31 23:18:08 GMT 2025`
Record UNII	J43F4H7SXM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DAUNORUBICIN BROMOKETAL HYDROCHLORIDE

Common Name

English

DAUNORUBICIN BROMO DIMETHYL KETAL, HYDROCHLORIDE

Preferred 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-, HYDROCHLORIDE, (8S-CIS)-

Systematic 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. HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

72941580

Created by admin on Mon Mar 31 23:18:08 GMT 2025 , Edited by admin on Mon Mar 31 23:18:08 GMT 2025

PRIMARY

CAS

64291-57-2

Created by admin on Mon Mar 31 23:18:08 GMT 2025 , Edited by admin on Mon Mar 31 23:18:08 GMT 2025

PRIMARY

FDA UNII

J43F4H7SXM

Created by admin on Mon Mar 31 23:18:08 GMT 2025 , Edited by admin on Mon Mar 31 23:18:08 GMT 2025

PRIMARY

Related Record Type Details


					3Z1AE1LY2D

DAUNORUBICIN BROMOKETAL

PARENT -> SALT/SOLVATE