Oliceridine (racemate)

CAT: 0926-BGC02825-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-BGC02825-01Size:5 mg

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CAS Number

1401028-25-8

Smiles

COC1=C (SC=C1) CNCCC2 (CCOC3 (C2) CCCC3) C4=CC=CC=N4

Molecular Formula

C22H30N2O2S

Molecular Weight

386.6 g/mol

Controlled

Yes

Chemical Information

TRV130 (Racemate)

CAS Number	1401028-25-8
PubChem CID	66555030
IUPAC Name	N-[(3-methoxythiophen-2-yl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
Molecular Formula	C22H30N2O2S
Molecular Weight	386.6
XLogP	3.5
Topological Polar Surface Area	71.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	471

SMILES

COC1=C(SC=C1)CNCCC2(CCOC3(C2)CCCC3)C4=CC=CC=N4

InChI

InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3

InChIKey

DMNOVGJWPASQDL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1401028-25-8

CID: 66555030

Formula: C22H30N2O2S

MW: 386.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	386.6
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	386.20279938
Monoisotopic Mass	386.20279938
Topological Polar Surface Area	71.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	471
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T13236L2-01	Oliceridine (Racemate)
T13236L-01	Oliceridine hydrochloride
RM-O578001-01	N-Nitroso-Oliceridine
CS-O-50061-10MG	N-Nitroso Oliceridine
RM-O578003-01	Oliceridine Impurity 3
RM-O578002-01	Oliceridine Impurity 2
M11671-01	Oliceridine hydrochloride (b)
CS-O-50061-1.5ML	N-nitroso-oliceridine-100 PPM in Acetonitrile
A3322-10	Cobimetinib (racemate)
CS-O-44244	Vilanterol Racemate