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Details

Stereochemistry MIXED
Molecular Formula C23H27NO4.BrH
Molecular Weight 462.377
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-ETHOXYTROPINE-O-PHENOXYBENZOATE HYDROBROMIDE

SMILES

Br.CCOC1CC2CC(CC1N2C)OC(=O)C3=C(OC4=CC=CC=C4)C=CC=C3

InChI

InChIKey=NMILJCWGUUWSED-UHFFFAOYSA-N
InChI=1S/C23H27NO4.BrH/c1-3-26-22-14-16-13-18(15-20(22)24(16)2)28-23(25)19-11-7-8-12-21(19)27-17-9-5-4-6-10-17;/h4-12,16,18,20,22H,3,13-15H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C23H27NO4
Molecular Weight 381.4648
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:18:17 GMT 2023
Edited
by admin
on Sat Dec 16 05:18:17 GMT 2023
Record UNII
U3XMG89PNP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-ETHOXYTROPINE-O-PHENOXYBENZOATE HYDROBROMIDE
Common Name English
BENZOIC ACID, 2-PHENOXY-, 6-ETHOXY-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, HYDROBROMIDE (1:1)
Systematic Name English
6-ETHOXYTROPINE, HYDROBROMIDE, O-PHENOXYBENZOIC ACID ESTER
Common Name English
Code System Code Type Description
CAS
22242-40-6
Created by admin on Sat Dec 16 05:18:17 GMT 2023 , Edited by admin on Sat Dec 16 05:18:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID90274915
Created by admin on Sat Dec 16 05:18:17 GMT 2023 , Edited by admin on Sat Dec 16 05:18:17 GMT 2023
PRIMARY
PUBCHEM
31080
Created by admin on Sat Dec 16 05:18:17 GMT 2023 , Edited by admin on Sat Dec 16 05:18:17 GMT 2023
PRIMARY
FDA UNII
U3XMG89PNP
Created by admin on Sat Dec 16 05:18:17 GMT 2023 , Edited by admin on Sat Dec 16 05:18:17 GMT 2023
PRIMARY
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