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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H19Cl2NO2.ClH
Molecular Weight 364.695
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RTI-111

SMILES

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

InChI

InChIKey=RHWDQYHGQIZSGW-LZRDFDPJSA-N
InChI=1S/C16H19Cl2NO2.ClH/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9;/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3;1H/t10-,11+,14+,15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C16H19Cl2NO2
Molecular Weight 328.234
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 18:23:33 GMT 2023
Edited
by admin
on Sat Dec 16 18:23:33 GMT 2023
Record UNII
7V8GL5F9MQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RTI-111
Code English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(3,4-DICHLOROPHENYL)-8-METHYL-, METHYL ESTER, HYDROCHLORIDE, (1R-(EXO,EXO))-
Systematic Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(3,4-DICHLOROPHENYL)-8-METHYL-, METHYL ESTER, HYDROCHLORIDE, (1R,2S,3S,5S)-
Systematic Name English
RTI-4229-111
Code English
N-METHYLDICHLOROPANE HYDROCHLORIDE
Common Name English
METHYL 3-(3,4-DICHLOROPHENYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLATE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
9820470
Created by admin on Sat Dec 16 18:23:33 GMT 2023 , Edited by admin on Sat Dec 16 18:23:33 GMT 2023
PRIMARY
CAS
150653-91-1
Created by admin on Sat Dec 16 18:23:33 GMT 2023 , Edited by admin on Sat Dec 16 18:23:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID40431334
Created by admin on Sat Dec 16 18:23:33 GMT 2023 , Edited by admin on Sat Dec 16 18:23:33 GMT 2023
PRIMARY
FDA UNII
7V8GL5F9MQ
Created by admin on Sat Dec 16 18:23:33 GMT 2023 , Edited by admin on Sat Dec 16 18:23:33 GMT 2023
PRIMARY
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