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Chemical structure of Argipressin

GC30764

Argipressin

Also listed as Argipressin (Vasopressin)

Arginine-vasopressin, as an important hormone in the regulation of plasma osmolality and blood volume/pressure, always is used in the treatment of septic shock and decompensated cirrhosis

ChemicalCAS113-79-1MW1084.23FormulaC46H65N15O12S2
CAS number
113-79-1
Molecular weight
1084.23
Formula
C46H65N15O12S2
Solubility
Water ： ≥ 360 mg/mL (332·03 mM)
InChIKey
KBZOIRJILGZLEJ-LGYYRGKSSA-N
Catalogue number
GC30764
Brand
GLPBIO
Computed properties PubChem CID 644077 · XLogP -4.8 · TPSA 515 Ų · H-bond donors 14
XLogP
-4.8
TPSA
515 Ų
H-bond donors
14
H-bond acceptors
16
Rotatable bonds
19
Heavy atoms
75

SMILES C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N

Computed descriptors from PubChem (CID 644077), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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