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4,7,10-Tricarboxymethyl-1,4,7,10-Tetraaza-Cyclododecan-1-Yl-Acetyl-D-Phe-Cys-Tyr-D-Trp-Lys-Thr-Cys-Thr-Oh, (Disulfide Bond) Acetate

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4,7,10-Tricarboxymethyl-1,4,7,10-Tetraaza-Cyclododecan-1-Yl-Acetyl-D-Phe-Cys-Tyr-D-Trp-Lys-Thr-Cys-Thr-Oh, (Disulfide Bond) Acetate / CAS : 177943-89-4

Appearance solid UN -
HS 29339900 DG Class -
Synonyms Dotatate Acetate; Dota-Tate Acetate; Dota-Tate Trifluoroacetate; Schembl22557287; Fc-2152
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Properties

Summary

Formula
C65H92N14O19S2
Molecular Mass
1437.64000
Exact Mass
1436.61000
PSA
575.06000
Logp
-0.33090
IUPAC
2-[[10-(4-aminobutyl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[3-phenyl-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid
SMILES
CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)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)C(=O)NC(C(C)O)C(=O)O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Appearance
solid
Acidity and Basicity
acidness

Export information

HS Code
29339900
Export Rebate
13%

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