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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25F2N3O3
Molecular Weight 417.449
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ((5S,6S,9R)-5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-9-YL) 4-HYDROXYPIPERIDINE-1-CARBOXYLATE

SMILES

N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(O)CC2)C3=C1C=CC=N3)C4=CC=CC(F)=C4F

InChI

InChIKey=NOEXAWSUIKJEPC-CVAIRZPRSA-N
InChI=1S/C22H25F2N3O3/c23-17-5-1-3-14(19(17)24)15-6-7-18(21-16(20(15)25)4-2-10-26-21)30-22(29)27-11-8-13(28)9-12-27/h1-5,10,13,15,18,20,28H,6-9,11-12,25H2/t15-,18+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H25F2N3O3
Molecular Weight 417.449
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:05:34 GMT 2023
Edited
by admin
on Sat Dec 16 16:05:34 GMT 2023
Record UNII
4H0LT3EI31
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
((5S,6S,9R)-5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-9-YL) 4-HYDROXYPIPERIDINE-1-CARBOXYLATE
Systematic Name English
RIMEGEPANT METABOLITE M21
Common Name English
Code System Code Type Description
FDA UNII
4H0LT3EI31
Created by admin on Sat Dec 16 16:05:34 GMT 2023 , Edited by admin on Sat Dec 16 16:05:34 GMT 2023
PRIMARY
PUBCHEM
154584862
Created by admin on Sat Dec 16 16:05:34 GMT 2023 , Edited by admin on Sat Dec 16 16:05:34 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE