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Substance Name: Desmopressin acetate [USAN:USP:JAN]
RN: 62357-86-2
UNII: XB13HYU18U
InChIKey: YNKFCNRZZPFMEX-XHPDKPNGSA-N

Classification Codes

  • Antidiuretic
  • Drug / Therapeutic Agent
  • Human Data

Molecular Formula

  • C46-H64-N14-O12-S2.C2-H4-O2.3H2-O

Molecular Weight

  • 1183.3256
 

Names and Synonyms

Name of Substance

  • Desmopressin acetate trihydrate
  • Desmopressin acetate [USAN:USP:JAN]

Synonyms

  • 1-(3-Mercaptopropanoic acid)-8-D-argininevasopressin monoacetate (salt), trihydrate
  • 1-(3-Mercaptopropionic acid)-8-D-arginine-vasopressin monoacetate (salt) trihydrate
  • DDAVP
  • Desmopressin acetate
  • Desmopressin acetate trihydrate
  • KW-8008
  • Minirin
  • Noctiva
  • Stimate
  • Stimate injection
  • UNII-XB13HYU18U

Systematic Name

  • Vasopressin, 1-(3-mercaptopropanoic acid)-8-D-arginine-, monoacetate (salt), trihydrate

Registry Numbers

CAS Registry Number

  • 62357-86-2

FDA UNII

  • XB13HYU18U

Related Registry Number

  • 16679-58-6 (Parent)

System Generated Number

  • 0062357862

Molecular Formulas

Molecular Formula

  • C46-H64-N14-O12-S2.C2-H4-O2.3H2-O

Molecular Formula Fragments

  • C2-H4-O2
  • C46-H64-N14-O12-S2
  • COMPONENT
  • H2-O

Structure Descriptors

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/t28-,29+,30+,31+,32+,33+,34+;;;;/m1..../s1

InChIKey

YNKFCNRZZPFMEX-XHPDKPNGSA-N

Smiles

O.O.O.CC(=O)O.NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(=O)N)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
child TDLo oral 42ug/kg/6W-I (0.042mg/kg)   Journal of Toxicology, Clinical Toxicology. Vol. 30, Pg. 637, 1992.
child TDLo oral 42ug/kg/6W-I (0.042mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Toxicology, Clinical Toxicology. Vol. 30, Pg. 637, 1992.
man LDLo intravenous 891ng/kg/1D-I (0.000891mg/kg) CARDIAC: OTHER CHANGES

CARDIAC: CARDIOMYOPATHY INCLUDING INFARCTION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Lancet. Vol. 345, Pg. 1302, 1995.
mouse LD50 intravenous > 2mg/kg (2mg/kg)   Drugs in Japan Vol. -, Pg. 688, 1990.
rabbit LD50 intravenous > 50ug/kg (0.05mg/kg)   Drugs in Japan Vol. -, Pg. 688, 1990.
rat LD50 intravenous > 2mg/kg (2mg/kg)   Drugs in Japan Vol. -, Pg. 688, 1990.
rat LD50 subcutaneous > 2mg/kg (2mg/kg)   Drugs in Japan Vol. -, Pg. 688, 1990.