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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22ClNO2.ClH
Molecular Weight 344.2765
Optical Activity ( - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RTI-112 HYDROCHLORIDE

SMILES

Cc1cc(ccc1Cl)[C@@]2([H])C[C@]3([H])CC[C@]([H])([C@@]2([H])C(=O)OC)N3C.Cl

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 307.8157
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.4609
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 Jun 26 08:43:21 UTC 2021
Edited
by admin
on Sat Jun 26 08:43:21 UTC 2021
Record UNII
3BL92TSA7C
Record Status Validated (UNII)
Record Version
  • Download
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 Jun 26 08:43:21 UTC 2021 , Edited by admin on Sat Jun 26 08:43:21 UTC 2021
PRIMARY
CAS
150653-92-2
Created by admin on Sat Jun 26 08:43:21 UTC 2021 , Edited by admin on Sat Jun 26 08:43:21 UTC 2021
PRIMARY
FDA UNII
3BL92TSA7C
Created by admin on Sat Jun 26 08:43:21 UTC 2021 , Edited by admin on Sat Jun 26 08:43:21 UTC 2021
PRIMARY
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