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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

Molecular Formula C43H65N11O12S2
Molecular Weight 992.173
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

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

Substance Class Chemical
Record UNII
2N9HM3X95F
Record Status Validated (UNII)
Record Version