10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-N-(1,3-dihydroxybutan-2-yl)-7-(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-pentazacycloicosane-4-carboxamide

Modify Date: 2023-01-19 15:19:18

10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-N-(1,3-dihydroxybutan-2-yl)-7-(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-pentazacycloicosane-4-carboxamide Structure
10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-N-(1,3-dihydroxybutan-2-yl)-7-(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-pentazacycloicosane-4-carboxamide structure
Common Name 10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-N-(1,3-dihydroxybutan-2-yl)-7-(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-pentazacycloicosane-4-carboxamide
CAS Number 103667-46-5 Molecular Weight 1035.24000
Density 1.42g/cm3 Boiling Point 1481ºC at 760mmHg
Molecular Formula C49H66N10O11S2 Melting Point N/A
MSDS N/A Flash Point 849.5ºC

 Names

Name 10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-N-(1,3-dihydroxybutan-2-yl)-7-(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-pentazacycloicosane-4-carboxamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.42g/cm3
Boiling Point 1481ºC at 760mmHg
Molecular Formula C49H66N10O11S2
Molecular Weight 1035.24000
Flash Point 849.5ºC
Exact Mass 1034.44000
PSA 427.48000
LogP 3.36090
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.681

 Synthetic Route

~%

10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-N-(1,3-dihydroxybutan-2-yl)-7-(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-pentazacycloicosane-4-carboxamide Structure

10-(4-aminobuty...

CAS#:103667-46-5

Literature: Schottelius, Margret; Reubi, Jean Claude; Eltschinger, Veronique; Schwaiger, Markus; Wester, Hans-Juergen Journal of Medicinal Chemistry, 2005 , vol. 48, # 8 p. 2778 - 2789

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

D-Phe-Cys-Tyr-D-Trp-Lys-Thr-Cys-Thr(ol) (2-7)disulfide
3-Tyr-octreotide
Octreotide,tyr(3)
Octreotide,tyrosine(3)
[Tyr3]octreotide
Tyr(3)-sms
Sms-204-090
Sdz 204-090
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