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Oxytocin

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Oxytocin / CAS : 50-56-6

Appearance White to yellowish brown powder, hygroscopic, easily soluble in water. UN 3249
HS 3006930000 DG Class -
Synonyms Pitocin; Endopituitrina; Syntocinon; Orasthin; Oxytocinum; Oxitocina; Oxytocine; Oxytocin Acetate; Oxytocic Hormone; (1-Hemicystine)Oxytocin; Piton S; 3-Isoleucine-8-Leucine Vasopressin; Alpha-Hypophamine; (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-13-[(2S)-Butan-2-yl]-16-[(4-Hydroxyphenyl)Methyl]-6,9,12,15,18-Pentaoxo-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]-N-[(2S)-1-[(2-Amino-2-Oxoethyl)Amino]-4-Methyl-1-Oxopentan-2-yl]Pyrrolidine-2-Carboxamide
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Properties

Summary

Formula
C43H66N12O12S2
Molecular Mass
1007.19000
Exact Mass
1006.44000
PSA
450.13000
Logp
1.55630
IUPAC
(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Hormones And Endocrine Drugs

Chemical and Physical Properties

Melting Point
192-194°C
Density
1.27 g/cm3
Boiling Point
1533.3ºC at760mmHg
Flash Point
881.1ºC
Appearance
White to yellowish brown powder, hygroscopic, easily soluble in water.

Export information

HS Code
3006930000
Export Rebate
13%
UN No.
3249
Risk Code
R36/37/38
Safety Label
Xi

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