BECATECARIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H34Cl2N4O7
Molecular Weight	669.552
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BECATECARIN

Structure Search

SMILES

CCN(CC)CCN1C(=O)C2=C(C1=O)C3=C(N([C@@H]4O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]4O)C5=C3C=CC=C5Cl)C6=C2C7=C(N6)C(Cl)=CC=C7

InChI

InChIKey=JSKFWUPVIZYJMR-UDOAKELVSA-N

InChI=1S/C33H34Cl2N4O7/c1-4-37(5-2)12-13-38-31(43)22-20-15-8-6-10-17(34)24(15)36-25(20)27-21(23(22)32(38)44)16-9-7-11-18(35)26(16)39(27)33-29(42)28(41)30(45-3)19(14-40)46-33/h6-11,19,28-30,33,36,40-42H,4-5,12-14H2,1-3H3/t19-,28-,29-,30-,33-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H34Cl2N4O7
Molecular Weight	669.552
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:44:33 UTC 2023` Edited by `admin` on `Fri Dec 15 15:44:33 UTC 2023`
Record UNII	A60X6MBU6G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BECATECARIN

Official Name

English

BMS-181176

Code

English

NSC-655649

Code

English

6-(2-(DIETHYLAMINO)ETHYL)-REBECCAMYCIN

Common Name

English

Becatecarin [WHO-DD]

Common Name

English

XL119

Code

English

5H-INDOLO(2,3-A)PYRROLO(3,4-C)CARBAZOLE-5,7(6H)-DIONE, 1,11-DICHLORO-6-(2-(DIETHYLAMINO)ETHYL)-12,13-DIHYDRO-12-(4-O-METHYL-.BETA.-D-GLUCOPYRANOSYL)-

Common Name

English

DEAE-REBECCAMYCIN

Common Name

English

BMY-27557

Code

English

XL-119

Code

English

BECATECARIN [MART.]

Common Name

English

BECATECARIN [USAN]

Common Name

English

becatecarin [INN]

Common Name

English

1,11-DICHLORO-6-(2-(DIETHYLAMINO)ETHYL)-12,13-DIHYDRO-12-(4-O-METHYL-.BETA.-D-GLUCOPYRANOSYL)-5H-INDOLO(2,3-A)PYRROLO(3,4-C)CARBAZOLE-5,7(6H)-DIONE

Systematic Name

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/06/388

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

FDA ORPHAN DRUG

179903

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

NCI_THESAURUS

C582

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

NCI_THESAURUS

C1904

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

Code System Code Type Description

CAS

119673-08-4

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

PRIMARY

NCI_THESAURUS

C1620

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

PRIMARY

NSC

655649

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

PRIMARY

PUBCHEM

101524

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

PRIMARY

USAN

QQ-56

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

PRIMARY

EPA CompTox

DTXSID60869635

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

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ChEMBL

CHEMBL2107313

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

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INN

8564

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

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DRUG BANK

DB06362

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

PRIMARY

SMS_ID

100000089433

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

PRIMARY

FDA UNII

A60X6MBU6G

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

PRIMARY

MESH

C093269

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

PRIMARY

EVMPD

SUB25405

Created by admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023

PRIMARY

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