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DESMOPRESSIN ACETATE

CAS：62357-86-2
MW:1183.31000
MF：C48H74N14O17S2

Antidiuretic.

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Names and ldentifier
Use and Manufacturing
Msds
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: DESMOPRESSIN ACETATE

1.2 Synonyms: 1-(3-mercaptopropanoicacid)-8-d-argininevasopressinmonoacetate(salt),trih; demopressinacetate; DesMopressin (acetate 3H2O); Desmopressin Acetate (1.91 mg) (COLD SHIPMENT REQUIRED); DESMOPRESSIN ACETATE TRIHYDRATE; kw-8008; Mpr-Tyr-Phe-Gln-Asn-Cys-Pro-D-Arg-Gly-NH2 (Disulfide bridge Mpr1-Cys6); stimateinjection; vasopressin,1-(3-mercaptopropanoicacid)-8-d-arginine-,monoacetate(salt),tr;

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1.3 CAS No.: 62357-86-2

1.4 CID: 64759

1.5 EINECS: 240-726-7

1.6 Molecular Formula: C48H74N14O17S2

1.7 Inchi: InChI=1S/C46H64N14O12S2.C2H4O2.3H2O/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;1-2(3)4;;;/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);1H3,(H,3,4);3*1H2

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1.8 InChkey: YNKFCNRZZPFMEX-UHFFFAOYSA-N

1.9 Canonical Smiles: CC(=O)O.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.O.O.O

1.10 Isomers Smiles: CC(=O)O.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.O.O.O

2. Use and Manufacturing

2.1 Definition: ChEBI: The trihydrate of the acetic acid salt of desmopressin. An antidiuretic, it increases urine concentration and decreases urine production, and is used to prevent and control excessive thirst, urination, and dehydration caused by injury, surgery, and certainmedical conditions. It is also used in the diagnosis and treatment of cranial diabetes insipidus and in tests of renal function.

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2.2 Description

ChEBI: The trihydrate of the acetic acid salt of desmopressin. An antidiuretic, it increases urine concentration and decreases urine production, and is used to prevent and control excessive thirst, urination, and dehydration caused by injury, surgery, and certain medical conditions. It is also used in the diagnosis and treatment of cranial diabetes insipidus and in tests of renal function.

A synthetic analog of the pituitary hormone, ARGININE VASOPRESSIN. Its action is mediated by the VASOPRESSIN receptor V2. It has prolonged antidiuretic activity, but little pressor effects. It also modulates levels of circulating FACTOR VIII and VON WILLEBRAND FACTOR.

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2.3 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 23 companies from 1 notifications to the ECHA C&L Inventory.

H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P271, P304+P312, P304+P340, and P312

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2.4 Usage: Antidiuretic.

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Acute toxicity - Inhalation, Category 4

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H314 Causes severe skin burns and eye damage H317 May cause an allergic skin reaction H332 Harmful if inhaled
Precautionary statement(s)
Prevention	P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. P271 Use only outdoors or in a well-ventilated area. P284 [In case of inadequate ventilation] wear respiratory protection.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/…if you feel unwell. P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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4. Computed Properties

Molecular Weight：1183.31000g/mol
Molecular Formula：C₄₈H₇₄N₁₄O₁₇S₂
Compound Is Canonicalized：True
XLogP3-AA：1182.47977929
Monoisotopic Mass：1182.47977929
Complexity：2070
Rotatable Bond Count：19
Hydrogen Bond Donor Count：17
Hydrogen Bond Acceptor Count：20
Topological Polar Surface Area：529
Heavy Atom Count：：81
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：7
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：5
CACTVS Substructure Key Fingerprint：AAADcfB//gBgAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgQQCAAADCzF2ASzDoPAAgCoAiHSPAACAAEgIAAIiIGOCIgIZjqC0TOUcAAk1hGImAedy6COIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

5.Other Information

Uses: Antidiuretic.

Definition: ChEBI: The trihydrate of the acetic acid salt of desmopressin. An antidiuretic, it increases urine concentration and decreases urine production, and is used to prevent and control excessive thirst, urination, and dehydration caused by injury, surgery, and certain medical conditions. It is also used in the diagnosis and treatment of cranial diabetes insipidus and in tests of renal function.

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Brand name: Concentraid (Ferring Pharmaceuticals); Ddavp (Sanofi Aventis); Stimate (ZLB Behring).

用途: Desmopressin acetate is a synthetic replacement for vasopressin, the hormone that reduces urine production. It may be taken nasally, intravenously, or as a tablet. Doctors prescribe Desmopressin most frequently for treatment of diabetes insipidus or nocturnal enuresis. Desmopressin (1-desamino-8-D-arginine vasopressin) is a modified form of the normal human hormone arginine vasopressin, a peptide containing nine amino acids. Medical use of Desmopressin acetate includes: (a) bed wetting; (b) nighttime urination; (c) clotting disorders; (d) diabetes insipidus.

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Mesh: Agents that reduce the excretion of URINE, most notably the octapeptide VASOPRESSINS. (See all compounds classified as Antidiuretic Agents.)|Agents acting to arrest the flow of blood. Absorbable hemostatics arrest bleeding either by the formation of an artificial clot or by providing a mechanical matrix that facilitates clotting when applied directly to the bleeding surface. These agents function more at the capillary level and are not effective at stemming arterial or venous bleeding under any significant intravascular pressure. (See all compounds classified as Hemostatics.)

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