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Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H45N7
Molecular Weight	479.7038
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCN(CCC)CCCCN(C)CC1=CC=C(CN(CC2=NC=CN2)CC3=NC=CN3C)C=C1

InChI

InChIKey=SHGBVICHXYKTGY-UHFFFAOYSA-N

InChI=1S/C28H45N7/c1-5-16-34(17-6-2)19-8-7-18-32(3)21-25-9-11-26(12-10-25)22-35(23-27-29-13-14-30-27)24-28-31-15-20-33(28)4/h9-15,20H,5-8,16-19,21-24H2,1-4H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C28H45N7
Molecular Weight	479.7038
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Efficient inhibition of SDF-1alpha-mediated chemotaxis and HIV-1 infection by novel CXCR4 antagonists.	2009-04	19245436

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:18:11 GMT 2025` Edited by `admin` on `Mon Mar 31 22:18:11 GMT 2025`
Record UNII	4QYS878L1T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KRH-3955 FREE BASE

Common Name

English

CS-3955 FREE BASE

Preferred Name

English

1,4-BENZENEDIMETHANAMINE, N-(4-(DIPROPYLAMINO)BUTYL)-N'-(1H-IMIDAZOL-2-YLMETHYL)-N-METHYL-N'-((1-METHYL-1H-IMIDAZOL-2-YL)METHYL)-

Systematic Name

English

J2.798.823G

Code

English

1,4-BUTANEDIAMINE, N1-((4-(((1H-IMIDAZOL-2-YLMETHYL)((1-METHYL-1H-IMIDAZOL-2-YL)METHYL)AMINO)METHYL)PHENYL)METHYL)-N1-METHYL-N4,N4-DIPROPYL-

Systematic Name

English

N-(4-(DIPROPYLAMINO)BUTYL)-N'-(1H-IMIDAZOLE-2-YLMETHYL)-N-METHYL-N'-((1-METHYL-1H-IMIDAZOLE-2-YL)METHYL)-1,4-BENZENEDIMETHANEAMINE

Systematic Name

English

N-((4-((1H-IMIDAZOL-2-YLMETHYL-((1-METHYLIMIDAZOL-2-YL)METHYL)AMINO)METHYL)PHENYL)METHYL)-N-METHYL-N',N'-DIPROPYLBUTANE-1,4-DIAMINE

Systematic Name

English

(4-(DIPROPYLAMINO)BUTYL)(4-((((1H-IMIDAZOL-2-YL)METHYL)((1-METHYLIMIDAZOL-2-YL)METHYL)AMINO)METHYL)BENZYL)METHYLAMINE

Systematic Name

English

N-(4-(((1H-IMIDAZOL-2-YLMETHYL)((1-METHYL-1H-IMIDAZOL-2-YL)METHYL)AMINO)METHYL)BENZYL)-N-METHYL-N',N'-DIPROPYL-1,4-BUTANEDIAMINE

Systematic Name

English

Code System Code Type Description

FDA UNII

4QYS878L1T

Created by admin on Mon Mar 31 22:18:11 GMT 2025 , Edited by admin on Mon Mar 31 22:18:11 GMT 2025

PRIMARY

CAS

675135-77-0

Created by admin on Mon Mar 31 22:18:11 GMT 2025 , Edited by admin on Mon Mar 31 22:18:11 GMT 2025

PRIMARY

PUBCHEM

11950261

Created by admin on Mon Mar 31 22:18:11 GMT 2025 , Edited by admin on Mon Mar 31 22:18:11 GMT 2025

PRIMARY

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