EXP-561 MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H19N.ClH.H2O
Molecular Weight	255.784
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.Cl.NC12CCC(CC1)(CC2)C3=CC=CC=C3

InChI

InChIKey=NLXFYKZUFJZKCP-UHFFFAOYSA-N

InChI=1S/C14H19N.ClH.H2O/c15-14-9-6-13(7-10-14,8-11-14)12-4-2-1-3-5-12;;/h1-5H,6-11,15H2;1H;1H2

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C14H19N
Molecular Weight	201.3074
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	H2O
Molecular Weight	18.0153
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 `Mon Mar 31 18:27:24 GMT 2025` Edited by `admin` on `Mon Mar 31 18:27:24 GMT 2025`
Record UNII	HZH88RDY6L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EXP-561 MONOHYDRATE

Common Name

English

EXP 561

Preferred Name

English

4-PHENYLBICYCLO(2.2.2)OCTAN-1-AMINE HYDROCHLORIDE MONOHYDRATE

Systematic Name

English

4-PHENYL-BICYCLO(2.2.2)OCT-1-YL-AMINE HYDROCHLORIDE MONOHYDRATE

Systematic Name

English

BICYCLO(2.2.2)OCTAN-1-AMINE, 4-PHENYL-, HYDROCHLORIDE, HYDRATE (1:1:1)

Systematic Name

English

BICYCLO(2.2.2)OCTAN-1-AMINE, 4-PHENYL-, HYDROCHLORIDE, MONOHYDRATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

23619321

Created by admin on Mon Mar 31 18:27:24 GMT 2025 , Edited by admin on Mon Mar 31 18:27:24 GMT 2025

PRIMARY

FDA UNII

HZH88RDY6L

Created by admin on Mon Mar 31 18:27:24 GMT 2025 , Edited by admin on Mon Mar 31 18:27:24 GMT 2025

PRIMARY

CAS

16142-83-9

Created by admin on Mon Mar 31 18:27:24 GMT 2025 , Edited by admin on Mon Mar 31 18:27:24 GMT 2025

PRIMARY

EPA CompTox

DTXSID30936525

Created by admin on Mon Mar 31 18:27:24 GMT 2025 , Edited by admin on Mon Mar 31 18:27:24 GMT 2025

PRIMARY

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