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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H23ClN2O.ClH
Molecular Weight 415.355
Optical Activity ( - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RTI-177 HYDROCHLORIDE

SMILES

Cl.CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(Cl)C=C3)C4=CC(=NO4)C5=CC=CC=C5

InChI

InChIKey=JCFQMEPVIGHHNV-CDDIXHLPSA-N
InChI=1S/C23H23ClN2O.ClH/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16;/h2-10,14,18-19,21,23H,11-13H2,1H3;1H/t18-,19+,21+,23-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C23H23ClN2O
Molecular Weight 378.895
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity ( - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:52:13 GMT 2025
Edited
by admin
on Wed Apr 02 13:52:13 GMT 2025
Record UNII
JWN7DY62KC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-AZABICYCLO(3.2.1)OCTANE, 3-(4-CHLOROPHENYL)-8-METHYL-2-(3-PHENYL-5-ISOXAZOLYL)-, HYDROCHLORIDE (1:1), (1R,2S,3S,5S)-
Preferred Name English
RTI-177 HYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
JWN7DY62KC
Created by admin on Wed Apr 02 13:52:13 GMT 2025 , Edited by admin on Wed Apr 02 13:52:13 GMT 2025
PRIMARY
PUBCHEM
9931646
Created by admin on Wed Apr 02 13:52:13 GMT 2025 , Edited by admin on Wed Apr 02 13:52:13 GMT 2025
PRIMARY
CAS
170939-95-4
Created by admin on Wed Apr 02 13:52:13 GMT 2025 , Edited by admin on Wed Apr 02 13:52:13 GMT 2025
PRIMARY
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