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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H31F6N3O2S
Molecular Weight 551.588
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MRK-003

SMILES

[H][C@]12CC[C@]([H])(CC3=CC(\C=C\CN4CCC(CC4)C(F)(F)F)=CC=C3C1)[C@@]25CN(CC(F)(F)F)S(=O)(=O)N5

InChI

InChIKey=NKHUILHBYOOZDF-NCOIWELASA-N
InChI=1S/C25H31F6N3O2S/c26-24(27,28)16-34-15-23(32-37(34,35)36)21-5-6-22(23)14-19-12-17(3-4-18(19)13-21)2-1-9-33-10-7-20(8-11-33)25(29,30)31/h1-4,12,20-22,32H,5-11,13-16H2/b2-1+/t21-,22+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H31F6N3O2S
Molecular Weight 551.588
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:33:01 GMT 2023
Edited
by admin
on Sat Dec 16 08:33:01 GMT 2023
Record UNII
DJ2AZE88DE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MRK-003
Code English
SPIRO(6,9-METHANOBENZOCYCLOOCTENE-11,3'-(1,2,5)THIADIAZOLIDINE), 5,6,7,8,9,10-HEXAHYDRO-5'-(2,2,2-TRIFLUOROETHYL)-2-((1E)-3-(4-(TRIFLUOROMETHYL)-1-PIPERIDINYL)-1-PROPENYL)-, 1',1'-DIOXIDE, (3'R,6S,9R)-
Systematic Name English
MRK003
Code English
Code System Code Type Description
FDA UNII
DJ2AZE88DE
Created by admin on Sat Dec 16 08:33:01 GMT 2023 , Edited by admin on Sat Dec 16 08:33:01 GMT 2023
PRIMARY
PUBCHEM
15953832
Created by admin on Sat Dec 16 08:33:01 GMT 2023 , Edited by admin on Sat Dec 16 08:33:01 GMT 2023
PRIMARY
CAS
623165-93-5
Created by admin on Sat Dec 16 08:33:01 GMT 2023 , Edited by admin on Sat Dec 16 08:33:01 GMT 2023
PRIMARY
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