Eserethol

CAT: 0926-AAA46923-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA46923-02Size:10 mg

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

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CAS Number

469-23-8

Smiles

CCOC1=CC2=C (C=C1) N (C3C2 (CCN3C) C) C

Molecular Formula

C15H22N2O

Molecular Weight

246.35 g/mol

Controlled

Chemical Information

Eserethol

CAS Number	469-23-8
PubChem CID	10879418
IUPAC Name	(3aR,8bS)-7-ethoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
Molecular Formula	C15H22N2O
Molecular Weight	246.35
XLogP	1.5
Topological Polar Surface Area	15.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	322

SMILES

CCOC1=CC2=C(C=C1)N([C@@H]3[C@]2(CCN3C)C)C

InChI

InChI=1S/C15H22N2O/c1-5-18-11-6-7-13-12(10-11)15(2)8-9-16(3)14(15)17(13)4/h6-7,10,14H,5,8-9H2,1-4H3/t14-,15+/m1/s1

InChIKey

KQWOEHQIZVGMMT-CABCVRRESA-N

Chemical Structure

2D Structure

CAS: 469-23-8

CID: 10879418

Formula: C15H22N2O

MW: 246.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.35
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	246.173213330
Monoisotopic Mass	246.173213330
Topological Polar Surface Area	15.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	322
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
FE162094-01	Esermethole

Catalog	Name
TRC-E146220-2.5MG	Eserethol