DOXORUBICIN 14-VALERATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H37NO12
Molecular Weight	627.6357
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C3=C(C1)C(O)=C4C(=O)C5=CC=CC(OC)=C5C(=O)C4=C3O

InChI

InChIKey=HPIIJTZSULGOAB-IIOUFYMLSA-N

InChI=1S/C32H37NO12/c1-4-5-9-21(35)43-13-20(34)32(41)11-16-24(19(12-32)45-22-10-17(33)27(36)14(2)44-22)31(40)26-25(29(16)38)28(37)15-7-6-8-18(42-3)23(15)30(26)39/h6-8,14,17,19,22,27,36,38,40-41H,4-5,9-13,33H2,1-3H3/t14-,17-,19-,22-,27+,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H37NO12
Molecular Weight	627.6357
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	VX84V04LL9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOXORUBICIN 14-VALERATE

Common Name

English

ADRIAMYCIN 14-VALERATE

Preferred Name

English

VALRUBICIN IMPURITY, DOXORUBICIN VALERATE [USP IMPURITY]

Common Name

English

PENTANOIC ACID, 2-((2S,4S)-4-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-1,2,3,4,6,11-HEXAHYDRO-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-2-NAPHTHACENYL)-2-OXOETHYL ESTER

Systematic Name

English

2-((2S,4S)-4-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACEN-2-YL)-2-OXOETHYL PENTANOATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

10349017

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

CAS

80287-44-1

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

DTXSID501026345

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

VX84V04LL9

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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