RTI-112 HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H22ClNO2.ClH
Molecular Weight	344.276
Optical Activity	( - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1C3=CC=C(Cl)C(C)=C3)N2C

InChI

InChIKey=LQPCABVKUZFZCC-DRADZWDZSA-N

InChI=1S/C17H22ClNO2.ClH/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3;/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3;1H/t12-,13+,15+,16-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C17H22ClNO2
Molecular Weight	307.815
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
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 `Sat Dec 16 18:24:01 UTC 2023` Edited by `admin` on `Sat Dec 16 18:24:01 UTC 2023`
Record UNII	3BL92TSA7C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RTI-112 HYDROCHLORIDE

Code

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(4-CHLORO-3-METHYLPHENYL)-8-METHYL-, METHYL ESTER, HYDROCHLORIDE (1:1), (1R,2S,3S,5S)-

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(4-CHLORO-3-METHYLPHENYL)-8-METHYL-, METHYL ESTER, HYDROCHLORIDE, (1R,2S,3S,5S)-

Systematic Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(4-CHLORO-3-METHYLPHENYL)-8-METHYL-, METHYL ESTER, HYDROCHLORIDE, (1R-(EXO,EXO))-

Systematic Name

English

Code System Code Type Description

PUBCHEM

71752123

Created by admin on Sat Dec 16 18:24:01 UTC 2023 , Edited by admin on Sat Dec 16 18:24:01 UTC 2023

PRIMARY

CAS

150653-92-2

Created by admin on Sat Dec 16 18:24:01 UTC 2023 , Edited by admin on Sat Dec 16 18:24:01 UTC 2023

PRIMARY

FDA UNII

3BL92TSA7C

Created by admin on Sat Dec 16 18:24:01 UTC 2023 , Edited by admin on Sat Dec 16 18:24:01 UTC 2023

PRIMARY

EPA CompTox

DTXSID40858385

Created by admin on Sat Dec 16 18:24:01 UTC 2023 , Edited by admin on Sat Dec 16 18:24:01 UTC 2023

PRIMARY

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