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YM 218

CAT: 0013-GTR19224263-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224263-02Size:50 mg
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Description
YM 218 is a potent and selective nonpeptide antagonist of the vasopressin V1A receptor. It is a valuable research tool for investigating the role of V1A receptors in cardiovascular function, stress response, and social behaviors in both in vitro and in vivo studies.
CAS Number
387816-81-1
Field of Research
Pharmacology & Drug Discovery
Smiles
C (\C (=O) N1CCC (CC1) N2CCCCC2) =C\3/C=4C (N (C (=O) C5=CC=C (NC (=O) C6=C (C) OC=C6) C=C5) CCC3 (F) F) =CC=CC4
Molecular Formula
C35H38F2N4O4
Molecular Weight
616.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

YM 218
CAS Number387816-81-1
PubChem CID9917025
IUPAC NameN-[4-[(5Z)-4,4-difluoro-5-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethylidene]-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
Molecular FormulaC35H38F2N4O4
Molecular Weight616.7
XLogP4.8
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count45
Formal Charge0
Complexity1100
SMILES
CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCC(/C(=C\C(=O)N4CCC(CC4)N5CCCCC5)/C6=CC=CC=C63)(F)F
InChI
InChI=1S/C35H38F2N4O4/c1-24-28(15-22-45-24)33(43)38-26-11-9-25(10-12-26)34(44)41-21-16-35(36,37)30(29-7-3-4-8-31(29)41)23-32(42)40-19-13-27(14-20-40)39-17-5-2-6-18-39/h3-4,7-12,15,22-23,27H,2,5-6,13-14,16-21H2,1H3,(H,38,43)/b30-23-
InChIKey
VDUUABBYYOPFAW-WMMMYUQOSA-N
Chemical Structure
2D Structure
2D structure of YM 218
CAS: 387816-81-1
CID: 9917025
Formula: C35H38F2N4O4
MW: 616.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.7
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass616.28611203
Monoisotopic Mass616.28611203
Topological Polar Surface Area86.1 Ų
Heavy Atom Count45
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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