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{{(R)-2-(Bis-Carboxymethyl-Amino)-3-[(4,4-Diphenyl-Cyclohexyloxy)-Hydroxy-Phosphoryloxy]-Propyl}-[2-(Bis-Carboxymethyl-Amino)-Ethyl]-Amino}-Acetic Acid

Error correction

{{(R)-2-(Bis-Carboxymethyl-Amino)-3-[(4,4-Diphenyl-Cyclohexyloxy)-Hydroxy-Phosphoryloxy]-Propyl}-[2-(Bis-Carboxymethyl-Amino)-Ethyl]-Amino}-Acetic Acid / CAS : 193901-90-5

Appearance solid UN -
HS 29225090 DG Class -
Synonyms Gadofosveset Trisodium; Schembl12298216; 2-[[2-[Bis(Carboxymethyl)Amino]-3-[(4,4-Diphenylcyclohexyl)Oxy-Hydroxyphosphoryl]Oxypropyl]-[2-[Bis(Carboxymethyl)Amino]Ethyl]Amino]Acetic Acid; Gadolinate(3-),[[(4R)-4-[Bis[(Carboxy-Ko)Methyl]Amino-Kn]-6,9-Bis[(Carboxy-Ko)Methyl]-1-[(4,4-Diphenylcyclohexyl)Oxy]-1-Hydroxy-2-Oxa-6,9-Diaza-1-Phosphaundecan-11-Oicacid-Kn6,Kn9,Ko11] 1-Oxidato(6-)]-, Sodium (1:3), (Sa-8-11252634)-; Cid 9919137
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Properties

Summary

Formula
C33H44N3O14P
Molecular Mass
737.68800
Exact Mass
737.25600
PSA
261.79000
Logp
1.74650
IUPAC
2-[[2-[bis(carboxymethyl)amino]-3-[(4,4-diphenylcyclohexyl)oxy-hydroxyphosphoryl]oxypropyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
SMILES
[H+].[H+].[H+].C1CC(CCC1OP(=O)([O-])OCC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.[Gd+3]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials
Auxiliary > Other Auxiliary Agent

Chemical and Physical Properties

Boiling Point
954.8ºC
Flash Point
531.3ºC
Appearance
solid
Acidity and Basicity
acidness

Export information

HS Code
29225090
Export Rebate
13%

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