Hydroxy meprobamate

CAT: 0926-DAA56743-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-DAA56743-01Size:25 mg

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

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CAS Number

3567-43-9

Smiles

CC (CC (C) (COC (=O) N) COC (=O) N) O

Molecular Formula

C9H18N2O5

Molecular Weight

234.25 g/mol

Controlled

Yes

Chemical Information

[2-(Carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] carbamate

CAS Number	3567-43-9
PubChem CID	548432
IUPAC Name	[2-(carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] carbamate
Molecular Formula	C9H18N2O5
Molecular Weight	234.25
XLogP	-0.6
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	16
Formal Charge	0
Complexity	238

SMILES

CC(CC(C)(COC(=O)N)COC(=O)N)O

InChI

InChI=1S/C9H18N2O5/c1-6(12)3-9(2,4-15-7(10)13)5-16-8(11)14/h6,12H,3-5H2,1-2H3,(H2,10,13)(H2,11,14)

InChIKey

KYFPTQOMOYSVDJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3567-43-9

CID: 548432

Formula: C9H18N2O5

MW: 234.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.25
XLogP3	-0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	234.12157168
Monoisotopic Mass	234.12157168
Topological Polar Surface Area	125 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	238
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
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20-1464	Meprobamate antibody
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FD20856-01	Decarboxamide meprobamate
QAA06028-01	Meprobamate N-β-D-glucuronide sodium
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