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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H26F3NO5S
Molecular Weight 496.528
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-5013853 C-11

SMILES

C[C@H](OC1=C(C=C(C=C1)S([11CH3])(=O)=O)C(=O)N2CC3=CC=C(C=C3C2)C4CCOCC4)C(F)(F)F

InChI

InChIKey=IHLMQHFPWQMCHB-QTIJPIMZSA-N
InChI=1S/C24H26F3NO5S/c1-15(24(25,26)27)33-22-6-5-20(34(2,30)31)12-21(22)23(29)28-13-18-4-3-17(11-19(18)14-28)16-7-9-32-10-8-16/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3/t15-/m0/s1/i2-1

HIDE SMILES / InChI

Molecular Formula C24H26F3NO5S
Molecular Weight 496.528
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:06:22 GMT 2023
Edited
by admin
on Sat Dec 16 14:06:22 GMT 2023
Record UNII
L5DU2AZ7N2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-5013853 C-11
Code English
(11C)RO-5013853
Code English
METHANONE, (1,3-DIHYDRO-5-(TETRAHYDRO-2H-PYRAN-4-YL)-2H-ISOINDOL-2-YL)(5-(METHYL-11C-SULFONYL)-2-((1S)-2,2,2-TRIFLUORO-1-METHYLETHOXY)PHENYL)-
Systematic Name English
11C-RO5013853
Code English
RO5013853 C-11
Code English
Code System Code Type Description
FDA UNII
L5DU2AZ7N2
Created by admin on Sat Dec 16 14:06:22 GMT 2023 , Edited by admin on Sat Dec 16 14:06:22 GMT 2023
PRIMARY
CAS
1224933-67-8
Created by admin on Sat Dec 16 14:06:22 GMT 2023 , Edited by admin on Sat Dec 16 14:06:22 GMT 2023
PRIMARY
PUBCHEM
46209180
Created by admin on Sat Dec 16 14:06:22 GMT 2023 , Edited by admin on Sat Dec 16 14:06:22 GMT 2023
PRIMARY
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NON-LABELED -> LABELED
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