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Carbetocin

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Carbetocin / CAS : 37025-55-1

Appearance white to beige. powder UN 0.0
HS - DG Class 0.0
Synonyms Carbetocin Trifluoroacetate Salt; Depotocin; Deamino-2-O-Methyltyrosine-1-Carbaoxytocin; Carbetocin Acetate; (Butyryl1,Tyr(Me)2)-1-Carbaoxytocin Trifluoroacetate Salt; Carbansin
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No Data
TT in Adv &
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Properties

Summary

Formula
C45H69N11O12S
Molecular Mass
988.16100
Exact Mass
987.48500
PSA
387.81000
Logp
1.96370
IUPAC
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSCCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OC)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
SMILES
CC[C@H](C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSCCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OC)C(=O)N3CCC[C@H]3C(=O)NC(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

Density
1.218 g/cm3
Boiling Point
1477.9ºCat 760 mmHg
Flash Point
847.6ºC
Appearance
white to beige. powder

Export information

UN No.
0.0
DG-Class
0.0

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