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Erlosiban

CAT: 0931-T70570-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70570-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1477482-19-1
Target
Others
Related Pathways
Others
Bioactivity
Erlosiban, also known as OBE001, is a novel, orally active nonpeptide oxytocin receptor antagonist under development for the treatment of preterm labor and improvement in embryo implantation and pregnancy rate in assisted reproductive technology (ART) .
Smiles
C(=O)(N1[C@H](CO)C\C(=N\OC)\C1)C2=CC=C(C=C2)C3=C(C)C=CC=C3
Molecular Formula
C20H22N2O3
Molecular Weight
338.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nolasiban

Nolasiban is under investigation in clinical trial NCT03081208 (Phase 3 Placebo Controlled Study of Nolasiban to Improve Pregnancy Rates in Women Undergoing IVF/ICSI).

CAS Number1477482-19-1
PubChem CID52947354
IUPAC Name[(2S,4Z)-2-(hydroxymethyl)-4-methoxyiminopyrrolidin-1-yl]-[4-(2-methylphenyl)phenyl]methanone
Molecular FormulaC20H22N2O3
Molecular Weight338.4
XLogP2.9
Topological Polar Surface Area62.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity485
SMILES
CC1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3C/C(=N\OC)/C[C@H]3CO
InChI
InChI=1S/C20H22N2O3/c1-14-5-3-4-6-19(14)15-7-9-16(10-8-15)20(24)22-12-17(21-25-2)11-18(22)13-23/h3-10,18,23H,11-13H2,1-2H3/b21-17-/t18-/m0/s1
InChIKey
OLUJSZLBWZWGJT-HGBKYHTQSA-N
Chemical Structure
2D Structure
2D structure of Nolasiban
CAS: 1477482-19-1
CID: 52947354
Formula: C20H22N2O3
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass338.16304257
Monoisotopic Mass338.16304257
Topological Polar Surface Area62.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19209506-01Erlosiban

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