Hyoscine Butylbromide EP Impurity E

CAT: 1299-RM-H150905-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-H150905-01Size:10 mg

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CAS Number

14861-14-4

Synonyms

(1R,2R,4S,5S,7s) -9-butyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (S) -3-hydroxy-2-phenylpropanoate

Molecular Formula

C20H27NO4

Molecular Weight

345.43

Target Alternative Name

Hyoscine

Product Name Synonym

(1R,2R,4S,5S,7s) -9-butyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (S) -3-hydroxy-2-phenylpropanoate

Chemical Information

8-Butyl-6alpha,7beta-epoxy-1alphaH,5alphaH-Nortropan-3alpha-ol (-)-tropate (ester)

CAS Number	14861-14-4
PubChem CID	73357793
IUPAC Name	(9-butyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate
Molecular Formula	C20H27NO4
Molecular Weight	345.4
XLogP	2.6
Topological Polar Surface Area	62.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	25
Formal Charge	0
Complexity	460

SMILES

CCCCN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4

InChI

InChI=1S/C20H27NO4/c1-2-3-9-21-16-10-14(11-17(21)19-18(16)25-19)24-20(23)15(12-22)13-7-5-4-6-8-13/h4-8,14-19,22H,2-3,9-12H2,1H3

InChIKey

YVEVAAHLEQKBBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14861-14-4

CID: 73357793

Formula: C20H27NO4

MW: 345.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	345.4
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	345.19400834
Monoisotopic Mass	345.19400834
Topological Polar Surface Area	62.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	460
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-H150916-01	Hyoscine Butylbromide EP Impurity F
RM-H150917-01	Hyoscine Butylbromide EP Impurity G
RM-H150914-01	Hyoscine Butylbromide EP Impurity D
RM-H150913-01	Hyoscine Butylbromide EP Impurity C
RM-S080008-01	Hyoscine Butylbromide EP Impurity H
RM-S080011-01	Hyoscine Butylbromide Impurity 20
RM-S080007-01	Hyoscine Butylbromide Impurity 15
RM-H150918-01	Hyoscine Butylbromide Impurity 8
RM-H150919-01	Hyoscine Butylbromide Impurity 9
RM-S080009-01	Hyoscine Butylbromide Impurity 17

Catalog	Name
AR-H01247-01	Hyoscine Butylbromide EP Impurity A
AR-S01216-01	Hyoscine Butylbromide EP Impurity D
AR-H00996-01	Hyoscine Butylbromide EP Impurity E
AR-S06175-01	Hyoscine Butylbromide EP Impurity C
AR-H01251-01	Hyoscine Butylbromide Impurity E Hydrochloride
AR-H00995-01	Hyoscine Butylbromide EP Impurity F
AR-H01248-01	Hyoscine Butylbromide EP Impurity B
AR-S01218-01	Hyoscine Butylbromide EP Impurity G
AR-A02947-01	Hyoscine Butylbromide EP Impurity H
AR-S10012-01	Hyoscine Butylbromide EP Impurity F Bromide