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Edotreotide

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Edotreotide / CAS : 204318-14-9

Appearance solid UN -
HS 29339900 DG Class -
Synonyms Dotatoc; Smt 487; Smt-487; Unii-U194As08Hz; Dota-D-Phe-Cys-Tyr-D-Trp-Lys-Thr-Cys-Thr-Ol (Disulfide Bridge: 2-7)
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Properties

Summary

Formula
C65H92N14O18S2
Molecular Mass
1421.64000
Exact Mass
1420.62000
PSA
530.99000
Logp
-0.19830
IUPAC
2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
SMILES
C[C@H]([C@@H](CO)NC(=O)C1CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Density
1.46g/cm3
Boiling Point
1723.7ºC
Flash Point
996.2ºC
Appearance
solid
Acidity and Basicity
acidness

Export information

HS Code
29339900
Export Rebate
13%

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