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(S)-α-(Hydroxymethyl)benzeneacetic acid (1β,2α,4α,5β,7α)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane-7-yl ester is a complex organic compound with a molecular formula of C22H31NO5. It is a chiral molecule, with the (S)-configuration indicating that it is the levorotatory enantiomer. The compound consists of a benzeneacetic acid moiety, which is a derivative of benzene with a carboxylic acid group, and an ester group derived from a cyclic amine structure. The cyclic amine is a tricyclic system with a nine-membered ring, containing a butyl and a methyl group, as well as an oxa bridge. This ester compound is characterized by its unique stereochemistry and structural features, which may contribute to its potential applications in various fields, such as pharmaceuticals or chemical research.

7182-53-8

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Basic information
1. Product Name: (S)-α-(Hydroxymethyl)benzeneacetic acid (1β,2α,4α,5β,7α)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane-7-yl ester
2. Synonyms: (1R,2R,4S,5S)-9-Butyl-7α-[(S)-3-hydroxy-2-phenylpropionyloxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane;(1α,2β,4β,5α)-7β-[(S)-3-Hydroxy-1-oxo-2-phenylpropyloxy]-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane;(S)-α-(Hydroxymethyl)benzeneacetic acid (1β,2α,4α,5β)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7α-yl ester;(S)-α-(Hydroxymethyl)benzeneacetic acid (1β,2α,4α,5β,7α)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane-7-yl ester;Butylscopolamine;N-Butylscopolamine
3. CAS NO:7182-53-8
4. Molecular Formula: C21H30NO4+
5. Molecular Weight: 360.4672
6. EINECS: N/A
7. Product Categories: N/A
8. Mol File: 7182-53-8.mol
Chemical Properties
1. Melting Point: N/A
2. Boiling Point: °Cat760mmHg
3. Flash Point: °C
4. Appearance: /
5. Density: g/cm³
6. Refractive Index: N/A
7. Storage Temp.: N/A
8. Solubility: N/A
9. CAS DataBase Reference: (S)-α-(Hydroxymethyl)benzeneacetic acid (1β,2α,4α,5β,7α)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane-7-yl ester(CAS DataBase Reference)
10. NIST Chemistry Reference: (S)-α-(Hydroxymethyl)benzeneacetic acid (1β,2α,4α,5β,7α)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane-7-yl ester(7182-53-8)
11. EPA Substance Registry System: (S)-α-(Hydroxymethyl)benzeneacetic acid (1β,2α,4α,5β,7α)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane-7-yl ester(7182-53-8)
Safety Data
1. Hazard Codes: N/A
2. Statements: N/A
3. Safety Statements: N/A
4. WGK Germany:
5. RTECS:
6. HazardClass: N/A
7. PackingGroup: N/A
8. Hazardous Substances Data: 7182-53-8(Hazardous Substances Data)

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Check Digit Verification of cas no

The CAS Registry Mumber 7182-53-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,1,8 and 2 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 7182-53:
(6*7)+(5*1)+(4*8)+(3*2)+(2*5)+(1*3)=98
98 % 10 = 8
So 7182-53-8 is a valid CAS Registry Number.

InChI:InChI=1/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15?,16-,17-,18+,19-,20+,22?/m1/s1

7182-53-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name	UNII-2Z3E1OF81V

1.2 Other means of identification

Product number	-
Other names	3-Oxa-9-azonitricyclo(3.3.1.0(2,4))nonane,9-butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-,(7(S)-(1alpha,2beta,4beta,5alpha,7beta))

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

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