N,1,N1,N4-Tris(1H-benzimidazol-2-ylmethyl)-N,4-[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]-1,4-butanediamine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H39N9
Molecular Weight	609.7659
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N,<SUP>1</SUP>,N<SUP>1</SUP>,N<SUP>4</SUP>-Tris(1H-benzimidazol-2-ylmethyl)-N,<SUP>4</SUP>-[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]-1,4-butanediamine

Structure Search

SMILES

C(CCN(CC1=NC2=CC=CC=C2N1)[C@H]3CCCC4=CC=CN=C34)CN(CC5=NC6=CC=CC=C6N5)CC7=NC8=CC=CC=C8N7

InChI

InChIKey=MAZNWWJEJJCUJX-XIFFEERXSA-N

InChI=1S/C37H39N9/c1-2-14-28-27(13-1)39-34(40-28)23-45(24-35-41-29-15-3-4-16-30(29)42-35)21-7-8-22-46(25-36-43-31-17-5-6-18-32(31)44-36)33-19-9-11-26-12-10-20-38-37(26)33/h1-6,10,12-18,20,33H,7-9,11,19,21-25H2,(H,39,40)(H,41,42)(H,43,44)/t33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H39N9
Molecular Weight	609.7659
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:00:45 GMT 2023` Edited by `admin` on `Sat Dec 16 20:00:45 GMT 2023`
Record UNII	2PZ3KQ9B5S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N,1,N1,N4-Tris(1H-benzimidazol-2-ylmethyl)-N,4-[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]-1,4-butanediamine

Systematic Name

English

1,4-Butanediamine, N,1,N1,N4-tris(1H-benzimidazol-2-ylmethyl)-N4-[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]-

Systematic Name

English

N,N,N'-tris(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine

Systematic Name

English

Code System Code Type Description

FDA UNII

2PZ3KQ9B5S

Created by admin on Sat Dec 16 20:00:45 GMT 2023 , Edited by admin on Sat Dec 16 20:00:45 GMT 2023

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CAS

2785361-91-1

Created by admin on Sat Dec 16 20:00:45 GMT 2023 , Edited by admin on Sat Dec 16 20:00:45 GMT 2023

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