YM 114

CAT: 0931-T24662-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T24662-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

153608-99-2

Target

Others, 5-HT Receptor

Related Pathways

Neuroscience, GPCR/G Protein, Others

Bioactivity

YM 114 is an anatagonist of 5-HT (3) receptor.

Smiles

C(=O)(N1C=2C(CC1)=CC=CC2)[C@H]3CC4=C(CC3)N=CN4.Cl

Molecular Formula

C16H18ClN3O

Molecular Weight

303.79

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

YM 114

a derivative of YM-060; a 5-HT(3) receptor anatagonist; structure in first source

CAS Number	153608-99-2
PubChem CID	132963
IUPAC Name	2,3-dihydroindol-1-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone;hydrochloride
Molecular Formula	C16H18ClN3O
Molecular Weight	303.78
Topological Polar Surface Area	49
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	386

SMILES

C1CC2=C(C[C@@H]1C(=O)N3CCC4=CC=CC=C43)NC=N2.Cl

InChI

InChI=1S/C16H17N3O.ClH/c20-16(12-5-6-13-14(9-12)18-10-17-13)19-8-7-11-3-1-2-4-15(11)19;/h1-4,10,12H,5-9H2,(H,17,18);1H/t12-;/m1./s1

InChIKey

GZXONPGTMHLBKQ-UTONKHPSSA-N

Chemical Structure

2D Structure

CAS: 153608-99-2

CID: 132963

Formula: C16H18ClN3O

MW: 303.78

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	303.78
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	303.1138399
Monoisotopic Mass	303.1138399
Topological Polar Surface Area	49 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	386
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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T23547-01	YM 26734
T29192-01	YM-900
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T88324-01	YM-344031
T3651-01	YM-58483
T9888-01	YM-244769
T62860-01	YM-341619
T29178-01	YM 471
T35265	YM-440
T35253	YM 11124

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YM 114

Chemical Information

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