DESMOPRESSIN ACETATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1978)
Entry Type: Protein
Molecule Category: Salt
UNII: XB13HYU18U
Parent Compound: DESMOPRESSIN

Structure
InChI Key MLSVJHOYXJGGTR-IFHOVBQLSA-N
Smile CC(=O)O.N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChI
InChI=1S/C46H64N14O12S2.C2H4O2/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)/t28-,29+,30+,31+,32+,33+,34+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C48H68N14O14S2
Molecular Weight 1129.29
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
AGONIST Vasopressin receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 4.694

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hyponatremia 3 D007010 ClinicalTrials
Ecchymosis 2 D004438 ClinicalTrials
Cerebral Hemorrhage 2 D002543 ClinicalTrials
Hypertension 1 D006973 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
13.68
General disorders and administration site conditions
12.66
Injury, poisoning and procedural complications
10.77
Respiratory, thoracic and mediastinal disorders
9.35
Metabolism and nutrition disorders
8.79
Psychiatric disorders
7.21
Vascular disorders
5.52
Gastrointestinal disorders
4.6
Investigations
3.55
Renal and urinary disorders
3.25
Cardiac disorders
3.0
Skin and subcutaneous tissue disorders
2.95
Musculoskeletal and connective tissue disorders
2.45

Cross References

Resources Reference
ChEBI 4450
ChEMBL CHEMBL1200556
FDA SRS XB13HYU18U
PubChem 9833407
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