NAS181

CAT: 0931-T23055-03Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T23055-03Size:100 mg

Selected

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

Quick Request Actions

CAS Number

1217474-40-2

Target

5-HT Receptor, Others

Related Pathways

Others, GPCR/G Protein, Neuroscience

Bioactivity

Rat 5-HT1B receptor antagonist

Smiles

CS(O)(=O)=O.CS(O)(=O)=O.C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1

Molecular Formula

C21H34N2O10S2

Molecular Weight

538.63

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

methanesulfonic acid;(2R)-2-[[3-(morpholin-4-ylmethyl)-2H-chromen-8-yl]oxymethyl]morpholine

CAS Number	1217474-40-2
PubChem CID	45073445
IUPAC Name	methanesulfonic acid;(2R)-2-[[3-(morpholin-4-ylmethyl)-2H-chromen-8-yl]oxymethyl]morpholine
Molecular Formula	C21H34N2O10S2
Molecular Weight	538.6
Topological Polar Surface Area	178
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Heavy Atom Count	35
Formal Charge	0
Complexity	545

SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CO[C@H](CN1)COC2=CC=CC3=C2OCC(=C3)CN4CCOCC4

InChI

InChI=1S/C19H26N2O4.2CH4O3S/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17;2*1-5(2,3)4/h1-3,10,17,20H,4-9,11-14H2;2*1H3,(H,2,3,4)/t17-;;/m1../s1

InChIKey

WMRMIRRDPBKNMY-ZEECNFPPSA-N

Chemical Structure

2D Structure

CAS: 1217474-40-2

CID: 45073445

Formula: C21H34N2O10S2

MW: 538.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	538.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	538.16548763
Monoisotopic Mass	538.16548763
Topological Polar Surface Area	178 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	545
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	3
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19201078-01	NAS181

NAS181

Chemical Information

Alternative Products

Popular Products