DETORUBICIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H39NO14
Molecular Weight	673.6611
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DETORUBICIN

Structure Search

SMILES

[H][C@@]1(C[C@H](N)[C@H](O)[C@H](C)O1)O[C@H]2C[C@@](O)(CC3=C(O)C4=C(C(=O)C5=C(OC)C=CC=C5C4=O)C(O)=C23)C(=O)COC(=O)C(OCC)OCC

InChI

InChIKey=XZSRRNFBEIOBDA-CFNBKWCHSA-N

InChI=1S/C33H39NO14/c1-5-44-32(45-6-2)31(41)46-13-20(35)33(42)11-16-23(19(12-33)48-21-10-17(34)26(36)14(3)47-21)30(40)25-24(28(16)38)27(37)15-8-7-9-18(43-4)22(15)29(25)39/h7-9,14,17,19,21,26,32,36,38,40,42H,5-6,10-13,34H2,1-4H3/t14-,17-,19-,21-,26+,33-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

DETORUBICIN

Official Name

English

ACETIC ACID, 2,2-DIETHOXY-, 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

Common Name

English

detorubicin [INN]

Common Name

English

GLYOXYLIC ACID 32-ESTER WITH DOXORUBICIN, 2-(DIETHYL ACETAL)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1594

Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID601024380

Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023

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EVMPD

SUB07013MIG

Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023

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NCI_THESAURUS

C1066

Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023

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FDA UNII

822EC3XEJZ

Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023

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ChEMBL

CHEMBL2104401

Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023

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CAS

66211-92-5

Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023

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MESH

C017218

Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023

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SMS_ID

100000083216

Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023

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PUBCHEM

6917660

Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023

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INN

4611

Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023

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ACTIVE MOIETY


					822EC3XEJZ

SALT/SOLVATE (PARENT)


					XMI0YV2GFR

DETORUBICIN HYDROCHLORIDE