Drug Information

Drug General Information
Drug ID
D08FJL
Former ID
DAP000269
Drug Name
Carbetocin
Synonyms
Carbetocino [INN-Spanish]; Carbetocinum [INN-Latin]; Duratocin (TN); 1-Buttersaeure-2-(3-(4-methoxyphenyl)-L-alanin)oxytocin; 1-{[(3r,6s,9s,12s,15s)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2s)-butan-2-yl]-15-(4-hydroxybenzyl)-16-methyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-3-yl]carbonyl}-l-prolyl-l-leucylglycinamide
Drug Type
Small molecular drug
Indication Postpartum haemorrhage [ICD9: 666; ICD10:O72] Approved [544501]
Therapeutic Class
Antitocolytic Agents
Company
Pfizer Pharmaceuticals
Structure
Download
2D MOL

3D MOL
Formula
C45H69N11O12S
Canonical SMILES
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSCCCC(=O)N(C(C(=O)N1)C<br />C2=CC=C(C=C2)O)C)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O<br />)N)CC(=O)N)CCC(=O)N
InChI
1S/C45H69N11O12S/c1-6-25(4)38-44(67)50-28(15-16-34(46)58)40(63)51-30(21-35(47)59)41(64)53-31(23-69-18-8-10-37(61)55(5)33(43(66)54-38)20-26-11-13-27(57)14-12-26)45(68)56-17-7-9-32(56)42(65)52-29(19-24(2)3)39(62)49-22-36(48)60/h11-14,24-25,28-33,38,57H,6-10,15-23H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,67)(H,51,63)(H,52,65)(H,53,64)(H,54,66)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1
InChIKey
SMMBGKXBHJTULT-DTRKZRJBSA-N
CAS Number
CAS 37025-55-1
PubChem Compound ID
71715
PubChem Substance ID
8194785, 43128004, 50452145, 57318325, 92720022, 93374740, 103096391, 103152461, 104351136, 124894307, 126620343, 126648265, 126668342, 134337583, 135850717, 137007153, 152035446, 160964603, 162845889, 180370667, 184530714, 196110724, 226424639, 252158412, 252218253, 252448606
SuperDrug ATC ID
H01BB03
SuperDrug CAS ID
cas=037025551
Target and Pathway
Target(s) Oxytocin receptor Target Info Agonist [535799], [536790], [537867]
KEGG Pathway Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Oxytocin signaling pathway
NetPath Pathway TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Oxytocin receptor mediated signaling pathway
Reactome Vasopressin-like receptors
G alpha (q) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Myometrial Relaxation and Contraction Pathways
Oxytocin signaling
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 544501Clinical Textbook of Dental Hygiene and Therapy. 2006, P237. By Robert Ireland.
Ref 535799Structure and expression of a human oxytocin receptor. Nature. 1992 Apr 9;356(6369):526-9.
Ref 536790Peptide and non-peptide agonists and antagonists for the vasopressin and oxytocin V1a, V1b, V2 and OT receptors: research tools and potential therapeutic agents. Prog Brain Res. 2008;170:473-512.
Ref 537867Structural organization of the human oxytocin receptor gene. J Biol Chem. 1994 Dec 23;269(51):32451-6.

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