PNU-157977

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H36Br2N12O4.BrH
Molecular Weight	869.405
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Br.CN1C=C(NC(=O)C2=CC=C(C=C2)N(CCBr)CCBr)C=C1C(=O)NC3=NN(C)C(=C3)C(=O)NC4=NN(C)C(=C4)C(=O)NCCC(N)=N

InChI

InChIKey=PCTMYFAOFBDWCZ-UHFFFAOYSA-N

InChI=1S/C30H36Br2N12O4.BrH/c1-41-17-19(36-27(45)18-4-6-20(7-5-18)44(12-9-31)13-10-32)14-21(41)29(47)37-26-16-23(43(3)40-26)30(48)38-25-15-22(42(2)39-25)28(46)35-11-8-24(33)34;/h4-7,14-17H,8-13H2,1-3H3,(H3,33,34)(H,35,46)(H,36,45)(H,37,40,47)(H,38,39,48);1H

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

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

Molecular Formula	C30H36Br2N12O4
Molecular Weight	788.493
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 `Mon Mar 31 21:42:02 GMT 2025` Edited by `admin` on `Mon Mar 31 21:42:02 GMT 2025`
Record UNII	MT2AWM9Y3J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PNU-157977

Code

English

1H-PYRAZOLE-5-CARBOXAMIDE, N-(5-(((3-AMINO-3-IMINOPROPYL)AMINO)CARBONYL)-1-METHYL-1H-PYRAZOL-3-YL)-3-(((4-((4-(BIS(2-BROMOETHYL)AMINO)BENZOYL)AMINO)-1-METHYL-1H-PYRROL-2-YL)CARBONYL)AMINO)-1-METHYL-, HYDROBROMIDE (1:1)

Preferred Name

English

PNU157977

Code

English

N-(3-AMINO-3-IMINOPROPYL)-5-((5-((4-((4-(BIS(2-BROMOETHYL)AMINO)BENZOYL)AMINO)-1-METHYLPYRROLE-2-CARBONYL)AMINO)-2-METHYLPYRAZOLE-3-CARBONYL)AMINO)-2-METHYLPYRAZOLE-3-CARBOXAMIDE;HYDROBROMIDE

Systematic Name

English

1H-PYRAZOLE-5-CARBOXAMIDE, N-(5-(((3-AMINO-3-IMINOPROPYL)AMINO)CARBONYL)-1-METHYL-1H-PYRAZOL-3-YL)-3-(((4-((4-(BIS(2-BROMOETHYL)AMINO)BENZOYL)AMINO)-1-METHYL-1H-PYRROL-2-YL)CARBONYL)AMINO)-1-METHYL-, MONOHYDROBROMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

MT2AWM9Y3J

Created by admin on Mon Mar 31 21:42:02 GMT 2025 , Edited by admin on Mon Mar 31 21:42:02 GMT 2025

PRIMARY

PUBCHEM

9962752

Created by admin on Mon Mar 31 21:42:02 GMT 2025 , Edited by admin on Mon Mar 31 21:42:02 GMT 2025

PRIMARY

CAS

177409-60-8

Created by admin on Mon Mar 31 21:42:02 GMT 2025 , Edited by admin on Mon Mar 31 21:42:02 GMT 2025

PRIMARY

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