2-((4-AMINOPHENYL)METHYL)NOTA TETRAHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H28N4O6.4ClH
Molecular Weight	554.293
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-((4-AMINOPHENYL)METHYL)NOTA TETRAHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.Cl.Cl.NC1=CC=C(C[C@H]2CN(CC(O)=O)CCN(CC(O)=O)CCN2CC(O)=O)C=C1

InChI

InChIKey=JAZHHNCRRPRKCC-FXAGWRDUSA-N

InChI=1S/C19H28N4O6.4ClH/c20-15-3-1-14(2-4-15)9-16-10-22(12-18(26)27)6-5-21(11-17(24)25)7-8-23(16)13-19(28)29;;;;/h1-4,16H,5-13,20H2,(H,24,25)(H,26,27)(H,28,29);4*1H/t16-;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula	C19H28N4O6
Molecular Weight	408.4488
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
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 `Tue Apr 01 20:31:50 GMT 2025` Edited by `admin` on `Tue Apr 01 20:31:50 GMT 2025`
Record UNII	SZ4QKG9273
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-((4-AMINOPHENYL)METHYL)NOTA TETRAHYDROCHLORIDE

Common Name

English

1H-1,4,7-TRIAZONINE-1,4,7-TRIACETIC ACID, 2-((4-AMINOPHENYL)METHYL)HEXAHYDRO-, HYDROCHLORIDE (1:4), (2S)-

Preferred Name

English

Code System Code Type Description

FDA UNII

SZ4QKG9273

Created by admin on Tue Apr 01 20:31:50 GMT 2025 , Edited by admin on Tue Apr 01 20:31:50 GMT 2025

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CAS

1310812-52-2

Created by admin on Tue Apr 01 20:31:50 GMT 2025 , Edited by admin on Tue Apr 01 20:31:50 GMT 2025

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PUBCHEM

124081864

Created by admin on Tue Apr 01 20:31:50 GMT 2025 , Edited by admin on Tue Apr 01 20:31:50 GMT 2025

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2-((4-AMINOPHENYL)METHYL)NOTA

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