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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H68FN11O12S
Molecular Weight 1042.183
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MEROTOCIN

SMILES

[H][C@]1(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC3=CC=C(F)C=C3)[C@@H](C)CC

InChI

InChIKey=PVVHQWISMVJHFK-NIFJBHDKSA-N
InChI=1S/C48H68FN11O12S/c1-5-27(4)42-47(71)56-32(16-17-37(50)62)44(68)57-35(21-38(51)63)45(69)58-36(25-73-18-6-7-40(65)54-34(46(70)59-42)20-28-10-14-31(61)15-11-28)48(72)60(23-29-8-12-30(49)13-9-29)24-41(66)55-33(19-26(2)3)43(67)53-22-39(52)64/h8-15,26-27,32-36,42,61H,5-7,16-25H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,68)(H,58,69)(H,59,70)/t27-,32-,33-,34-,35-,36-,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula C48H68FN11O12S
Molecular Weight 1042.183
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Merotocin (FE-202767 or carba-1-[4-FBzlGly(7)]dOT) is a selective peptidic oxytocin receptor agonist. It is currently in clinical development for the treatment of preterm mothers requiring lactation support.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.1 nM [EC50]

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Nasal
Substance Class Chemical
Record UNII
UW3ON116CO
Record Status Validated (UNII)
Record Version