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Cybeclamine

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Cybeclamine / CAS : 127000-20-8

Appearance solid UN -
HS 29420000 DG Class -
Synonyms 2-[2-[2-[bis(Carboxylatomethyl)Amino]Ethyl-(Carboxylatomethyl)Amino]Ethyl-(Carboxylatomethyl)Amino]-3-Phenylmethoxypropanoate,Gadolinium(3+),Hydron,(2R,3R,4R,5S)-6-(Methylamino)Hexane-1,2,3,4,5-Pentol; Gadobenic acid Dimeglumine salt; Multihance Multipack; UNII-3Q6PPC19PO; Gd-Bopta/Dimeg; Multihance; 3,6,9-Triaza-12-oxa-3,6,9-Tricarboxymethylene-10-Carboxy-13-Phenyltridecanoic acid, Gadolinium; Gadobenate Dimeglumine; Gadobenic acid; Gadobenic acid, Dimeglumine salt; Gadolinium-Benzyloxypropionyl Tetraacetate; Gadolinium-Bopta-Dimeg
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Properties

Summary

Formula
C36H62GdN5O21
Molecular Mass
1058.15000
Exact Mass
1058.32000
PSA
440.30000
Logp
-11.03810
IUPAC
2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]-3-phenylmethoxypropanoate;gadolinium(3+);hydron;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
SMILES
[H+].[H+].CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Diagnostic Agents

Chemical and Physical Properties

Melting Point
124°
Density
d20 1.22
Boiling Point
794.9ºC at 760 mmHg
Flash Point
434.5ºC
Appearance
solid

Export information

HS Code
29420000
Export Rebate
13%

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