Cis-Nabilone

CAT: 0926-GCA46915-02Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-GCA46915-02Size:250 mg

Selected

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

Quick Request Actions

CAS Number

56469-15-9

Smiles

CCCCCCC (C) (C) C1=CC (=C2C3CC (=O) CCC3C (OC2=C1) (C) C) O

Molecular Formula

C24H36O3

Molecular Weight

372.5 g/mol

Controlled

Yes

Chemical Information

cis-Nabilone

CAS Number	56469-15-9
PubChem CID	91906
IUPAC Name	(6aS,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
Molecular Formula	C24H36O3
Molecular Weight	372.5
XLogP	6.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	524

SMILES

CCCCCCC(C)(C)C1=CC(=C2[C@@H]3CC(=O)CC[C@@H]3C(OC2=C1)(C)C)O

InChI

InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19+/m1/s1

InChIKey

GECBBEABIDMGGL-MOPGFXCFSA-N

Chemical Structure

2D Structure

CAS: 56469-15-9

CID: 91906

Formula: C24H36O3

MW: 372.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	372.5
XLogP3	6.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	372.26644501
Monoisotopic Mass	372.26644501
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	524
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-N199990-5MG	cis-Nabilone
TRC-N199992-2.5MG	cis-Nabilone-d6
TRC-KIT6320-5X1ML	cis-Nabilone (1.0mg/ml in Acetonitrile)
TRC-N200000-5MG	Nabilone
CS-TB-79080	Cis-Nabilone-d6 (1.0mg/ml in Acetonitrile)
TRC-N200002-10MG	Nabilone-d6
RM-N550001-01	Nabilone D6 (Racemic)
460473	Nabilone Diol (Mixture of Diastereomers)
TRC-KIT0320-5X1ML	Nabilone (1.0 mg/mL in Acetonitrile)
OR1012666-01	Cis Cis-Muconic Acid