ACLARUBICIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H53NO15
Molecular Weight	811.8679
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ACLARUBICIN

Structure Search

SMILES

[H][C@@]1(CCC(=O)[C@H](C)O1)O[C@H]2[C@@H](O)C[C@]([H])(O[C@@H]3[C@H](C)O[C@]([H])(C[C@@H]3N(C)C)O[C@H]4C[C@](O)(CC)[C@H](C(=O)OC)C5=CC6=C(C(=O)C7=C(O)C=CC=C7C6=O)C(O)=C45)O[C@H]2C

InChI

InChIKey=USZYSDMBJDPRIF-SVEJIMAYSA-N

InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H53NO15
Molecular Weight	811.8679
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:16:53 UTC 2023` Edited by `admin` on `Fri Dec 15 15:16:53 UTC 2023`
Record UNII	74KXF8I502
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACLARUBICIN

Official Name

English

ACLARUBICIN [JAN]

Common Name

English

ACLACINOMYCIN A

Common Name

English

Aclarubicin [WHO-DD]

Common Name

English

ACLACINOMYCIN A [MI]

Common Name

English

ACLARUBICIN [USAN]

Common Name

English

ACLARUBICIN [MART.]

Common Name

English

NSC-208734

Code

English

aclarubicin [INN]

Common Name

English

Classification Tree Code System Code

WHO-VATC

QL01DB04

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

WHO-ATC

L01DB04

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

NCI_THESAURUS

C987

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

Code System Code Type Description

CAS

57576-44-0

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

PRIMARY

PUBCHEM

451415

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

PRIMARY

CHEBI

77980

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

PRIMARY

ChEMBL

CHEMBL502620

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

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MESH

D015250

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

PRIMARY

ECHA (EC/EINECS)

260-824-3

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

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NCI_THESAURUS

C202

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

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SMS_ID

100000084625

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

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RXCUI

239

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

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RxNorm

DRUG CENTRAL

80

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

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FDA UNII

74KXF8I502

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

PRIMARY

INN

4945

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

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WIKIPEDIA

ACLARUBICIN

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

PRIMARY

CHEBI

74619

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

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EVMPD

SUB05243MIG

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

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EPA CompTox

DTXSID1022554

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

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MERCK INDEX

m1374

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

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Merck Index

DRUG BANK

DB11617

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

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NSC

208734

Created by admin on Fri Dec 15 15:16:53 UTC 2023 , Edited by admin on Fri Dec 15 15:16:53 UTC 2023

PRIMARY

Related Record Type Details


					501948RI66

ACLARUBICIN HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					74KXF8I502

ACTIVE MOIETY