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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12ClFN2.C4H4O4
Molecular Weight 342.75
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of RO-60-0175

SMILES

OC(=O)\C=C\C(O)=O.C[C@H](N)CN1C=CC2=C1C=C(Cl)C(F)=C2

InChI

InChIKey=CEPHEXXZGQBXGT-XZTIXWOLSA-N
InChI=1S/C11H12ClFN2.C4H4O4/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15;5-3(6)1-2-4(7)8/h2-5,7H,6,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t7-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C11H12ClFN2
Molecular Weight 226.678
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
4.7 nM [EC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:31:15 GMT 2023
Edited
by admin
on Sat Dec 16 17:31:15 GMT 2023
Record UNII
YQP8J4N96A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-60-0175
Code English
1H-INDOLE-1-ETHANAMINE, 6-CHLORO-5-FLUORO-.ALPHA.-METHYL-, (.ALPHA.S)-, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
RO 60-0175 FUMARATE
Common Name English
(S)-2-(CHLORO-5-FLUORO-INDOL-L-YL)-1-METHYLETHYLAMINE FUMARATE
Systematic Name English
RO60-0175
Code English
Code System Code Type Description
CHEBI
142183
Created by admin on Sat Dec 16 17:31:15 GMT 2023 , Edited by admin on Sat Dec 16 17:31:15 GMT 2023
PRIMARY
CAS
169675-09-6
Created by admin on Sat Dec 16 17:31:15 GMT 2023 , Edited by admin on Sat Dec 16 17:31:15 GMT 2023
PRIMARY
WIKIPEDIA
Ro60-0175
Created by admin on Sat Dec 16 17:31:15 GMT 2023 , Edited by admin on Sat Dec 16 17:31:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID801028190
Created by admin on Sat Dec 16 17:31:15 GMT 2023 , Edited by admin on Sat Dec 16 17:31:15 GMT 2023
PRIMARY
FDA UNII
YQP8J4N96A
Created by admin on Sat Dec 16 17:31:15 GMT 2023 , Edited by admin on Sat Dec 16 17:31:15 GMT 2023
PRIMARY
PUBCHEM
6446435
Created by admin on Sat Dec 16 17:31:15 GMT 2023 , Edited by admin on Sat Dec 16 17:31:15 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST