BROSTALLICIN

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H35BrN12O5
Molecular Weight	723.58
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BROSTALLICIN

Structure Search

SMILES

CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)C4=CC(NC(=O)C(Br)=C)=CN4C)=CN3C)=CN2C)C=C1C(=O)NCCNC(N)=N

InChI

InChIKey=RXOVOXFAAGIKDQ-UHFFFAOYSA-N

InChI=1S/C30H35BrN12O5/c1-16(31)25(44)36-17-9-22(41(3)12-17)27(46)38-19-11-24(43(5)14-19)29(48)39-20-10-23(42(4)15-20)28(47)37-18-8-21(40(2)13-18)26(45)34-6-7-35-30(32)33/h8-15H,1,6-7H2,2-5H3,(H,34,45)(H,36,44)(H,37,47)(H,38,46)(H,39,48)(H4,32,33,35)

HIDE SMILES / InChI

Molecular Formula	C30H35BrN12O5
Molecular Weight	723.58
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:14:48 UTC 2023` Edited by `admin` on `Fri Dec 15 18:14:48 UTC 2023`
Record UNII	RPC6R41K4I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BROSTALLICIN

Official Name

English

BROSTALLICIN [MART.]

Common Name

English

BROSTALLICIN [MI]

Common Name

English

brostallicin [INN]

Common Name

English

Brostallicin [WHO-DD]

Common Name

English

N-(5-(((5-(((2-((AMINOIMINOMETHYL)AMINO)ETHYL)AMINO)CARBONYL)-1-METHYL-1H-PYRROL-3-YL)AMINO)CARBONYL)-1-METHYL-1H-PYRROL-3-YL)-4-(((4-((2-BROMO-1-OXO-2-PROPEN-1-YL)AMINO)-1-METHYL-1H-PYRROL-2-YL)CARBONYL)AMINO)-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE

Systematic Name

English

4-(2-BROMOACRYLAMIDO)-N'''-(2-GUANIDINOETHYL)-1,1',1'',1'''-TETRAMETHYL-N,4':N',4'':N'',4'''-QUATER(PYRROLE-2-CARBOXAMIDE)

Common Name

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/05/336

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

NCI_THESAURUS

C2115

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

NCI_THESAURUS

C446

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

Code System Code Type Description

DRUG BANK

DB06598

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

PRIMARY

EPA CompTox

DTXSID70174222

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

PRIMARY

MESH

C455279

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

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WIKIPEDIA

Brostallicin

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

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NCI_THESAURUS

C1889

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

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CAS

203258-60-0

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

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INN

7988

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

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SMS_ID

100000091278

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

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PUBCHEM

6918408

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

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MERCK INDEX

m2728

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

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Merck Index

EVMPD

SUB25403

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

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FDA UNII

RPC6R41K4I

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

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ChEMBL

CHEMBL1189025

Created by admin on Fri Dec 15 18:14:48 UTC 2023 , Edited by admin on Fri Dec 15 18:14:48 UTC 2023

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Related Record Type Details


					1DKC476797

BROSTALLICIN HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					RPC6R41K4I

ACTIVE MOIETY