ORG-6582

Details

Stereochemistry	UNKNOWN
Molecular Formula	C13H14ClN.ClH
Molecular Weight	256.171
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.N[C@@H]1[C@H]2CC3=CC(Cl)=CC=C3[C@@H]1CC=C2

InChI

InChIKey=LWRJZIPAGMGXQJ-POJHVLMBSA-N

InChI=1S/C13H14ClN.ClH/c14-10-4-5-11-9(7-10)6-8-2-1-3-12(11)13(8)15;/h1-2,4-5,7-8,12-13H,3,6,15H2;1H/t8-,12+,13-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C13H14ClN
Molecular Weight	219.71
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:23:38 GMT 2023` Edited by `admin` on `Fri Dec 15 15:23:38 GMT 2023`
Record UNII	S7VK4KIN4B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORG-6582

Code

English

5,9-METHANOBENZOCYCLOOCTEN-11-AMINE, 2-CHLORO-5,6,9,10-TETRAHYDRO-, HYDROCHLORIDE (1:1), (5R,9R,11S)-REL-

Systematic Name

English

D,L-8-CHLORO-11-ANTI-AMINO-BENZO-(B)-BICYCLE-(3.3.1)-NONA-3,6A-(10A)-DIENE HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

133082267

Created by admin on Fri Dec 15 15:23:38 GMT 2023 , Edited by admin on Fri Dec 15 15:23:38 GMT 2023

PRIMARY

FDA UNII

S7VK4KIN4B

Created by admin on Fri Dec 15 15:23:38 GMT 2023 , Edited by admin on Fri Dec 15 15:23:38 GMT 2023

PRIMARY

EPA CompTox

DTXSID80975328

Created by admin on Fri Dec 15 15:23:38 GMT 2023 , Edited by admin on Fri Dec 15 15:23:38 GMT 2023

PRIMARY

CAS

59905-71-4

Created by admin on Fri Dec 15 15:23:38 GMT 2023 , Edited by admin on Fri Dec 15 15:23:38 GMT 2023

PRIMARY

Related Record Type Details


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