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Argipressin

CAT: 0607-BA5830-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5830-25Size:25 mg
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CAS Number
113-79-1
Form
A solid
Molecular Formula
C46H65N15O12S2
Molecular Weight
1084.23
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C, protect from light.

Chemical Information

Argipressin

Argipressin is the predominant form of mammalian vasopressin (antidiuretic hormone). It is a nonapeptide containing an arginine at residue 8 and two disulfide-linked cysteines at residues of 1 and 6. It has a role as a cardiovascular drug, a hematologic agent and a mitogen. It is a conjugate base of an argipressin(2+).

CAS Number113-79-1
PubChem CID644077
IUPAC Name(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-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]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Molecular FormulaC46H65N15O12S2
Molecular Weight1084.2
XLogP-4.8
Topological Polar Surface Area515
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count19
Heavy Atom Count75
Formal Charge0
Complexity2070
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
InChI
InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
InChIKey
KBZOIRJILGZLEJ-LGYYRGKSSA-N
Chemical Structure
2D Structure
2D structure of Argipressin
CAS: 113-79-1
CID: 644077
Formula: C46H65N15O12S2
MW: 1084.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1084.2
XLogP3-4.8
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count19
Exact Mass1083.43785492
Monoisotopic Mass1083.43785492
Topological Polar Surface Area515 Ų
Heavy Atom Count75
Formal Charge0
Complexity2070
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3847237-01Argipressin
A18285-50Argipressin 50mg
T75708-01Argipressin diacetate
HY-P0049AArgipressin (diacetate)
A18285-25Argipressin 25mg
C06830Argipressin acetate
165443Anti Argipressin Pab
GTR19036684-01Argipressin, ala (10) -
HY-W539944-01Argipressin (acetate)
A18285-1Argipressin 1mg

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