MetaADEDB 2.0 @ LMMD
carbetocin
(NSTRIRCPWQHTIA-DTRKZRJBSA-N)
Structure
SMILES
CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C
Type(s)
Approved; Investigational
ATC code(s)
H01BB03
Molecular Formula:
C45H69N11O12S
Molecular Weight:
988.161
Log P:
1.9637
Hydrogen Bond Acceptor:
24
Hydrogen Bond Donor:
10
TPSA:
387.81
CAS Number(s):
37025-55-1
Synonym(s)
1.
carbetocin
2.
1-deamino-1-monocarba-2-(Tyr(OMe))-oxytocin
3.
Depotocin
4.
dcomot
5.
oxytocin, 1-desamino-1-monocarba-(Tyr(OMe))(2)-
6.
oxytocin, 1-desamino-1-monocarba-(tyrosine(O-methyl))(2)-
External Link(s)
MeSHC020731
PubChem Compound16681432
BindingDB50044677
ChEBI59204
CHEMBLCHEMBL3301668
DrugBankDB01282
DrugCentral495
KEGGdr:D07229
ZINC150338703
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Abdominal Pain9578276CTD
2Placenta, Retained9578276CTD
3Postpartum Hemorrhage9578276CTD
4Vascular Diseases9578276CTD
5Vomiting9578276CTD
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