EPIRUBICIN DIMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C54H58N2O22
Molecular Weight	1087.0385
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
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@@]6(O)CO[C@](CO)(O6)[C@@]7(O)C[C@H](O[C@H]8C[C@H](N)[C@@H](O)[C@H](C)O8)C9=C(C7)C(O)=C%10C(=O)C%11=CC=CC(OC)=C%11C(=O)C%10=C9O)C(O)=C3C(=O)C2=CC=C1

InChI

InChIKey=AMBBCYZGWOWKKQ-AICROAEQSA-N

InChI=1S/C54H58N2O22/c1-19-41(58)25(55)11-31(74-19)76-29-15-51(68,13-23-35(29)49(66)39-37(45(23)62)43(60)21-7-5-9-27(71-3)33(21)47(39)64)53(70)18-73-54(17-57,78-53)52(69)14-24-36(30(16-52)77-32-12-26(56)42(59)20(2)75-32)50(67)40-38(46(24)63)44(61)22-8-6-10-28(72-4)34(22)48(40)65/h5-10,19-20,25-26,29-32,41-42,57-59,62-63,66-70H,11-18,55-56H2,1-4H3/t19-,20-,25-,26-,29-,30-,31-,32-,41-,42-,51-,52-,53+,54+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C54H58N2O22
Molecular Weight	1087.0385
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:35:14 GMT 2025` Edited by `admin` on `Mon Mar 31 18:35:14 GMT 2025`
Record UNII	41918QOI2L
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

EPIRUBICIN DIMER

Common Name

English

5,12-NAPHTHACENEDIONE, 8,8'-((2R,4R)-4-HYDROXY-2-(HYDROXYMETHYL)-1,3-DIOXOLANE-2,4-DIYL)BIS(10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-, (8S,8'S,10S,10'S)-

Preferred Name

English

EPIRUBICIN HYDROCHLORIDE IMPURITY G [EP IMPURITY]

Common Name

English

EPIRUBICIN IMPURITY G

Common Name

English

8,8'-((2R,4R)-4-HYDROXY-2-(HYDROXYMETHYL)-1,3-DIOXOLAN-2,4-DIYL)BIS((8S,10S)-10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)OXY)-6,8,11-TRIHYDROXY-1-METHOXY-7,8,9,10-TETRAHYDROTETRACENE-5,12-DIONE)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90146648

Created by admin on Mon Mar 31 18:35:14 GMT 2025 , Edited by admin on Mon Mar 31 18:35:14 GMT 2025

PRIMARY

FDA UNII

41918QOI2L

Created by admin on Mon Mar 31 18:35:14 GMT 2025 , Edited by admin on Mon Mar 31 18:35:14 GMT 2025

PRIMARY

PUBCHEM

71587915

Created by admin on Mon Mar 31 18:35:14 GMT 2025 , Edited by admin on Mon Mar 31 18:35:14 GMT 2025

PRIMARY

CAS

1046827-43-3

Created by admin on Mon Mar 31 18:35:14 GMT 2025 , Edited by admin on Mon Mar 31 18:35:14 GMT 2025

PRIMARY

Related Record Type Details


					22966TX7J5

EPIRUBICIN HYDROCHLORIDE

PARENT -> IMPURITY