U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C43H65N11O12S2
Molecular Weight 992.173
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEMOXYTOCIN

SMILES

[H][C@]1(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC

InChI

InChIKey=GTYWGUNQAMYZPF-QPLNMOKZSA-N
InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1

HIDE SMILES / InChI
Demoxytocin is a synthetic analog of a peptide hormone oxytocin. The drug possesses higher oxytocin and lower vasopressin activity than oxytocin and is not broken down by leucylaminopeptidase or serum oxytocinase. Demoxytocin is administered as a buccal tablet formulation and is used for the induction of labor in overdue pregnancies, to prevent and treat puerperal mastitis and to promote lactation.

Approval Year

PubMed

PubMed

TitleDatePubMed
REVIEW: Oxytocin: Crossing the bridge between basic science and pharmacotherapy.
2010 Oct
Name Type Language
DEMOXYTOCIN
INN   MART.   WHO-DD  
INN  
Official Name English
SANDOPART
Brand Name English
1-(3-MERCAPTOPROPIONIC ACID)OXYTOCIN
Common Name English
OXYTOCIN, 1-(3-MERCAPTOPROPIONIC ACID)-
Common Name English
demoxytocin [INN]
Common Name English
DESAMINOOXYTOCIN
Common Name English
1-DEAMINOOXYTOCIN
Common Name English
OXYTOCIN, 1-(3-MERCAPTOPROPANOIC ACID)-
Common Name English
1-(3-MERCAPTOPROPIONIC ACID)-OXYTOCIN
Common Name English
DEMOXYTOCIN [MART.]
Common Name English
Demoxytocin [WHO-DD]
Common Name English
OXYTOCIN, DEAMINO-
Common Name English
DEAMINOOXYTOCIN [MI]
Common Name English
ODA 914
Code English
ODA-914
Code English
Classification Tree Code System Code
WHO-ATC H01BB01
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
WHO-VATC QH01BB01
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
NCI_THESAURUS C548
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
Code System Code Type Description
DRUG BANK
DB13798
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY
FDA UNII
2N9HM3X95F
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY
EVMPD
SUB06971MIG
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY
PUBCHEM
449224
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY
WIKIPEDIA
DEMOXYTOCIN
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY
DRUG CENTRAL
3126
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY
SMS_ID
100000083734
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY
CHEBI
135900
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY
ChEMBL
CHEMBL435716
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID701016964
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY
MERCK INDEX
m4114
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY Merck Index
INN
2685
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-034-9
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY
NCI_THESAURUS
C96860
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY
CAS
113-78-0
Created by admin on Fri Dec 15 15:12:31 GMT 2023 , Edited by admin on Fri Dec 15 15:12:31 GMT 2023
PRIMARY