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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20ClNO2
Molecular Weight 293.789
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RTI-31

SMILES

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

InChI

InChIKey=ZEOHVQFWFVMPGM-TUVASFSCSA-N
InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H20ClNO2
Molecular Weight 293.789
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:57:19 UTC 2023
Edited
by admin
on Sat Dec 16 16:57:19 UTC 2023
Record UNII
XGP6NM44D2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RTI-31
Code English
METHYL (1R,2S,3S,5S)-3-(4-CHLOROPHENYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLATE
Systematic Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLICACID, 3-(4-CHLOROPHENYL)-8-METHYL-, METHYL ESTER, (1R,2S,3S,5S)-
Systematic Name English
METHYL 3-(4-CHLOROPHENYL)TROPANE-2-CARBOXYLATE
Systematic Name English
RTI-COC 31
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10926686
Created by admin on Sat Dec 16 16:57:19 UTC 2023 , Edited by admin on Sat Dec 16 16:57:19 UTC 2023
PRIMARY
CAS
130342-80-2
Created by admin on Sat Dec 16 16:57:19 UTC 2023 , Edited by admin on Sat Dec 16 16:57:19 UTC 2023
PRIMARY
WIKIPEDIA
RTI-31
Created by admin on Sat Dec 16 16:57:19 UTC 2023 , Edited by admin on Sat Dec 16 16:57:19 UTC 2023
PRIMARY
FDA UNII
XGP6NM44D2
Created by admin on Sat Dec 16 16:57:19 UTC 2023 , Edited by admin on Sat Dec 16 16:57:19 UTC 2023
PRIMARY
PUBCHEM
12066383
Created by admin on Sat Dec 16 16:57:19 UTC 2023 , Edited by admin on Sat Dec 16 16:57:19 UTC 2023
PRIMARY