KRH-3955

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H45N7.3C4H6O6
Molecular Weight	929.9643
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCCN(CCC)CCCCN(C)CC1=CC=C(CN(CC2=NC=CN2)CC3=NC=CN3C)C=C1

InChI

InChIKey=PVKNAUJEVORNRR-NOKJQLKVSA-N

InChI=1S/C28H45N7.3C4H6O6/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;3*5-1(3(7)8)2(6)4(9)10/h9-15,20H,5-8,16-19,21-24H2,1-4H3,(H,29,30);3*1-2,5-6H,(H,7,8)(H,9,10)/t;3*1-,2-/m.111/s1

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

Molecular Formula	C4H6O6
Molecular Weight	150.0868
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

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	SF655E80Z8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CS-3955

Preferred Name

English

KRH-3955

Common Name

English

1,4-BENZENEDIMETHANAMINE, N1-(4-(DIPROPYLAMINO)BUTYL)-N4-(1H-IMIDAZOL-2-YLMETHYL)-N1-METHYL-N4-((1-METHYL-1H-IMIDAZOL-2-YL)METHYL)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:3)

Systematic Name

English

J2.798.824E

Code

English

(2R,3R)-2,3-DIHYDROXYBUTANEDIOIC ACID, 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

N-(4-(((1H-IMIDAZOL-2-YLMETHYL)((1-METHYL-1H-IMIDAZOL-2-YL)METHYL)AMINO)METHYL)BENZYL)-N-METHYL-N',N'-DIPROPYL-1,4-BUTANEDIAMINE 2,3-DIHYDROXYSUCCINATE (1:3)

Common Name

English

N-(4-(DIPROPYLAMINO)BUTYL)-N'-(1H-IMIDAZOLE-2-YLMETHYL)-N-METHYL-N'-((1-METHYL-1H-IMIDAZOLE-2-YL)METHYL)-1,4-BENZENEDIMETHANEAMINE/(2R,3R)-2,3-DIHYDROXYBUTANEDIOIC ACID,(1:3)

Systematic Name

English

N,N-DIPROPYL-N-(4-((((1H-IMIDAZOL-2-YL)METHYL)((1-METHYL-1H-IMIDAZOL-2-YL)METHYL)AMINO)METHYL)BENZYL)-N-METHYLBUTANE-1,4-DIAMINE TRI-(2R,3R)-TARTRATE

Systematic Name

English

(4-(DIPROPYLAMINO)BUTYL)(4-((((1H-IMIDAZOL-2-YL)METHYL)((1-METHYLIMIDAZOL-2-YL)METHYL)AMINO)METHYL)BENZYL)METHYLAMINE, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:3)

Systematic Name

English

Code System Code Type Description

PUBCHEM

44181732

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

FDA UNII

SF655E80Z8

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

1097732-62-1

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

937791-29-2

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

NO STRUCTURE GIVEN

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