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16679-58-6

Basic Information
CAS No.: 16679-58-6
Name: Desmopressin
Article Data: 2
Molecular Structure:
Molecular Structure of 16679-58-6 (Desmopressin)
Formula: C46H64N14O12S2
Molecular Weight: 1069.23
Synonyms: Vasopressin,1-(3-mercaptopropanoic acid)-8-D-arginine- (9CI);1-(3-Mercaptopropionic acid)-8-D-arginine-vasopressin;1-Deamino-[8-D-arginine]vasopressin;1-Desaminocystine-8-D-arginine-vasopressin;8-D-Arginine deaminovasopressin;Adiuretin SD;DAV Ritter;Desmospray;Minirin;Minrin;[Deamino1-D-arginine8]vasopressin;
EINECS: 240-726-7
Density: 1.563 g/cm3
PSA: 486.01000
LogP: 1.52350
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Chemistry

Molecule structure of Desmopressin (CAS NO.16679-58-6):

IUPAC Name: N-[1-[(2-Amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[4-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-10-benzyl-13-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-18,19-dithia-2,5,8,11,14-pentazacycloicosane-1-carbonyl]pyrrolidine-2-carboxamide 
Molecular Weight: 1069.21696 g/mol
Molecular Formula: C46H64N14O12S2 
Density: 1.563 g/cm3
Index of Refraction: 1.713
Molar Refractivity: 268.172 cm3
Molar Volume: 683.973 cm3
Surface Tension: 74.037 dyne/cm 
Storage Temp.: store at 0 °C
XLogP3-AA: -4
H-Bond Donor: 13
H-Bond Acceptor: 15
Rotatable Bond Count: 19
Tautomer Count: 1001
Exact Mass: 1068.426955
MonoIsotopic Mass: 1068.426955
Topological Polar Surface Area: 438
Heavy Atom Count: 74
Canonical SMILES: C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
InChI: InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)
InChIKey: NFLWUMRGJYTJIN-UHFFFAOYSA-N
EINECS: 240-726-7
Product Categories: Amino Acid Derivatives;Peptide;Vasopressin and Oxytocin receptor

Uses

 Desmopressin (CAS NO.16679-58-6) can be used to promote the release of von Willebrand factor in patients with coagulation disorders. It also can be used with uremic induced platelet dysfunction. Desmopressin is used in treating central diabetes insipidus (DI), to replace endogenous ADH that is missing in the central nervous system type of this disorder (decreased production of ADH from hypothalamus). It is also used in the diagnostic workup for diabetes insipidus, in order to distinguish central from nephrogenic DI.

Specification

 Desmopressin (CAS NO.16679-58-6) is also named as 1-Deamino-8-D-arginine vasopressin ; 1-Desamino-8-D-arginine vasopressin ; Deamino Arginine Vasopressin ; Deamino-8-D-arginine, l-, vasopressin ; Desamino-8-D-arginine vasopressin, l- ; Desmopresina ; Desmopresina [INN-Spanish] ; Desmopressine ; Desmopressine [INN-French] ; Desmopressinum ; Desmopressinum [INN-Latin] ; UNII-ENR1LLB0FP . Desmopressin (CAS NO.16679-58-6) is a synthetic replacement for vasopressin, the hormone that reduces urine production.