N-OCTYLATROPINIUM

Details

Stereochemistry	MIXED
Molecular Formula	C25H40NO3
Molecular Weight	402.59
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 5
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCC[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C3=CC=CC=C3

InChI

InChIKey=XQIDVDQPJDMFHO-BWKOSVORSA-N

InChI=1S/C25H40NO3/c1-3-4-5-6-7-11-16-26(2)21-14-15-22(26)18-23(17-21)29-25(28)24(19-27)20-12-9-8-10-13-20/h8-10,12-13,21-24,27H,3-7,11,14-19H2,1-2H3/q+1/t21-,22+,23+,24?,26?

HIDE SMILES / InChI

Molecular Formula	C25H39NO3
Molecular Weight	401.5821
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	3 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 06:02:28 GMT 2023` Edited by `admin` on `Sat Dec 16 06:02:28 GMT 2023`
Record UNII	W7SXP8F329
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-OCTYLATROPINIUM

Common Name

English

8-AZONIABICYCLO(3.2.1)OCTANE, 3-(3-HYDROXY-1-OXO-2-PHENYLPROPOXY)-8-METHYL-8-OCTYL-, (3-ENDO)-

Common Name

English

N-OCTYLATROPINIUM CATION

Common Name

English

N-OCTYLATROPINIUM ION

Common Name

English

(±)-N-OCTYLATROPINIUM

Common Name

English

OCTYLATROPINE

Common Name

English

Code System Code Type Description

FDA UNII

W7SXP8F329

Created by admin on Sat Dec 16 06:02:28 GMT 2023 , Edited by admin on Sat Dec 16 06:02:28 GMT 2023

PRIMARY

PUBCHEM

71587305

Created by admin on Sat Dec 16 06:02:28 GMT 2023 , Edited by admin on Sat Dec 16 06:02:28 GMT 2023

PRIMARY

CAS

83173-57-3

Created by admin on Sat Dec 16 06:02:28 GMT 2023 , Edited by admin on Sat Dec 16 06:02:28 GMT 2023

PRIMARY

Related Record Type Details


					W7SXP8F329

N-OCTYLATROPINIUM

IONIC MOIETY