BROSTALLICIN HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H35BrN12O5.ClH
Molecular Weight	760.041
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.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=IPKHXIAPPAKHTB-UHFFFAOYSA-N

InChI=1S/C30H35BrN12O5.ClH/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);1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

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 17:59:14 UTC 2023` Edited by `admin` on `Fri Dec 15 17:59:14 UTC 2023`
Record UNII	1DKC476797
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BROSTALLICIN HYDROCHLORIDE

Common Name

English

PNU-166196

Code

English

PNU 166196

Code

English

BROSTALLICIN HYDROCHLORIDE [MI]

Common Name

English

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

Common Name

English

Code System Code Type Description

PUBCHEM

6918407