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Substance Name: Desmopressin diacetate
RN: 16789-98-3
UNII: 242K8LE2BC
InChIKey: GNASTRMPURYAFJ-VCCVNBJCSA-N

Molecular Formula

  • C46-H64-N14-O12-S2.2C2-H4-O2

Molecular Weight

  • 1189.3328
 
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Names and Synonyms

Results Name

  • Desmopressin diacetate

Name of Substance

  • Desmopressin diacetate anhydrous

Synonyms

  • 1-Deamino-8-D-arginine-vasopressin diacetate
  • Desmopressin diacetate
  • UNII-242K8LE2BC

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 16789-98-3

FDA UNII

  • 242K8LE2BC

Other Registry Number

  • 55479-20-4

System Generated Number

  • 0016789983

Molecular Formulas

Molecular Formula

  • C46-H64-N14-O12-S2.2C2-H4-O2

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C46H64N14O12S2.2C2H4O2/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;2*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);2*1H3,(H,3,4)/t28-,29+,30+,31+,32+,33+,34+;;/m1../s1

InChIKey

GNASTRMPURYAFJ-VCCVNBJCSA-N

Smiles

CC(=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