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Chemical structure of Atosiban acetate

GC39849

Atosiban acetate

Also known as acetic acid;(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

Atosiban acetate (RW22164 acetate;RWJ22164 acetate) is a nonapeptide competitive vasopressin/oxytocin receptor antagonist, and is a desamino-oxytocin analogue

ChemicalCAS914453-95-5MW1054.24FormulaC45H71N11O14S2
CAS number
914453-95-5
Molecular weight
1054.24
Formula
C45H71N11O14S2
Solubility
DMSO ： 100 mg/mL (94·86 mM; Need ultrasonic); H2O ： 50 mg/mL (47·43 mM; Need ultrasonic)
InChIKey
SVDWBHHCPXTODI-MHZXAHMBSA-N
Catalogue number
GC39849
Brand
GLPBIO
Computed properties PubChem CID 24892851 · TPSA 454 Ų · H-bond donors 12 · H-bond acceptors 17
TPSA
454 Ų
H-bond donors
12
H-bond acceptors
17
Rotatable bonds
18
Heavy atoms
72

SMILES CC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O.CC(=O)O

Computed descriptors from PubChem (CID 24892851), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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