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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

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

Approval Year

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
PRIMARY
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
PRIMARY