1-Methyl-1,4-bis[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]piperazinium iodide (1:1)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C53H51N12O2.I
Molecular Weight	1014.9557
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Methyl-1,4-bis[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]piperazinium iodide (1:1)

Structure Search

SMILES

[I-].CC1=CC=C(NC(=O)C2=CC=C(C[N+]3(C)CCN(CC4=CC=C(C=C4)C(=O)NC5=CC(NC6=NC=CC(=N6)C7=CN=CC=C7)=C(C)C=C5)CC3)C=C2)C=C1NC8=NC=CC(=N8)C9=CN=CC=C9

InChI

InChIKey=DMDXYJYEIHHHIC-UHFFFAOYSA-N

InChI=1S/C53H50N12O2.HI/c1-36-8-18-44(30-48(36)62-52-56-24-20-46(60-52)42-6-4-22-54-32-42)58-50(66)40-14-10-38(11-15-40)34-64-26-28-65(3,29-27-64)35-39-12-16-41(17-13-39)51(67)59-45-19-9-37(2)49(31-45)63-53-57-25-21-47(61-53)43-7-5-23-55-33-43;/h4-25,30-33H,26-29,34-35H2,1-3H3,(H3-,56,57,58,59,60,61,62,63,66,67);1H

HIDE SMILES / InChI

Molecular Formula	C53H51N12O2
Molecular Weight	888.0512
Charge	1
Count

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

Molecular Formula	I
Molecular Weight	126.9045
Charge	-1
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 `Sat Dec 16 19:54:04 GMT 2023` Edited by `admin` on `Sat Dec 16 19:54:04 GMT 2023`
Record UNII	4JX6RH6LPE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-Methyl-1,4-bis[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]piperazinium iodide (1:1)

Systematic Name

English

Piperazinium, 1-methyl-1,4-bis[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]-, iodide (1:1)

Systematic Name

English

Code System Code Type Description

CAS

1821122-74-0

Created by admin on Sat Dec 16 19:54:04 GMT 2023 , Edited by admin on Sat Dec 16 19:54:04 GMT 2023

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FDA UNII

4JX6RH6LPE

Created by admin on Sat Dec 16 19:54:04 GMT 2023 , Edited by admin on Sat Dec 16 19:54:04 GMT 2023

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PUBCHEM

166642279

Created by admin on Sat Dec 16 19:54:04 GMT 2023 , Edited by admin on Sat Dec 16 19:54:04 GMT 2023

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