IKT-001PRO CATION

Details

Stereochemistry	RACEMIC
Molecular Formula	C35H42N7O4
Molecular Weight	624.7525
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	1
Stereo Comments	Assumed racemic

SHOW SMILES / InChI

Structure Search

SMILES

CCC(C)OC(=O)OC[N+]1(C)CCN(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C)C(NC4=NC=CC(=N4)C5=CC=CN=C5)=C3)CC1

InChI

InChIKey=LDGNUHRHJMYMRG-UHFFFAOYSA-O

InChI=1S/C35H41N7O4/c1-5-26(3)46-35(44)45-24-42(4)19-17-41(18-20-42)23-27-9-11-28(12-10-27)33(43)38-30-13-8-25(2)32(21-30)40-34-37-16-14-31(39-34)29-7-6-15-36-22-29/h6-16,21-22,26H,5,17-20,23-24H2,1-4H3,(H-,37,38,39,40,43)/p+1

HIDE SMILES / InChI

Molecular Formula	C35H42N7O4
Molecular Weight	624.7525
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:42:42 UTC 2023` Edited by `admin` on `Sat Dec 16 14:42:42 UTC 2023`
Record UNII	PQ7XM37MVW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IKT-001PRO CATION

Code

English

1-SEC-BUTOXYCARBONYLOXYMETHYL-1-METHYL-4-(4-(4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYLCARBAMOYL)-BENZYL)-PIPERAZIN-1-IUM

Systematic Name

English

PIPERAZINIUM, 1-METHYL-1-(((((1RS)-1-METHYLPROPOXY)CARBONYL)OXY)METHYL)-4-((4-(((4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)PHENYL)AMINO)CARBONYL)PHENYL)METHYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

PQ7XM37MVW

Created by admin on Sat Dec 16 14:42:42 UTC 2023 , Edited by admin on Sat Dec 16 14:42:42 UTC 2023

PRIMARY

PUBCHEM

90091729

Created by admin on Sat Dec 16 14:42:42 UTC 2023 , Edited by admin on Sat Dec 16 14:42:42 UTC 2023

PRIMARY

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