Atropine Glucuronide

CAT: 1596-AR-A07471-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07471-02Size:25 Units

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CAS Number

17301-09-6

Molecular Formula

C23H31NO9

Molecular Weight

465.50

API Name

Atropine

Chemical Information

Atropine glucuronide

CAS Number	17301-09-6
PubChem CID	15592260
IUPAC Name	3,4,5-trihydroxy-6-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-2-phenylpropoxy]oxane-2-carboxylic acid
Molecular Formula	C23H31NO9
Molecular Weight	465.5
XLogP	-1.4
Topological Polar Surface Area	146
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Heavy Atom Count	33
Formal Charge	0
Complexity	685

SMILES

CN1C2CCC1CC(C2)OC(=O)C(COC3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H31NO9/c1-24-13-7-8-14(24)10-15(9-13)32-22(30)16(12-5-3-2-4-6-12)11-31-23-19(27)17(25)18(26)20(33-23)21(28)29/h2-6,13-20,23,25-27H,7-11H2,1H3,(H,28,29)

InChIKey

WIFBYLWEGJIRPO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17301-09-6

CID: 15592260

Formula: C23H31NO9

MW: 465.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	465.5
XLogP3	-1.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	465.19988157
Monoisotopic Mass	465.19988157
Topological Polar Surface Area	146 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	685
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
AR-A02935	Atropine
AR-A02939-01	Atropine Sulfate
AR-A07474-01	D-Atropine
AR-A07464-01	Atropine-d5
AR-A07482-01	Atropine Sulfate
AR-A07473-01	L-Atropine-d5
AR-A07478-01	Atropine Impurity 14
AR-A07480-01	Atropine Impurity 15
AR-A07467-01	Atropine Impurity 8
AR-A07476-01	Atropine Impurity 10

Alternative Products

Catalog	Name
FA32433-01	Atropine
HY-W587927-01	α-Hydroxymethyl atropine
CS-T-95209	Atropine-d5
HY-122510	Atropine oxide
AB2512	Atropine Sulfat
MBS3605014-01	Atropine sulfate
OR1037239	A-Hydroxymethyl atropine
TRC-A794632-1MG	(±)-Atropine-D3

Atropine Glucuronide

Chemical Information

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