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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29FN4O2
Molecular Weight 400.4897
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUN-C5174 (R)-ISOMER

SMILES

CN1C=CC2=C1[C@H](O)CCN(CCCN3CCN(CC3)C4=CC=C(F)C=C4)C2=O

InChI

InChIKey=KBZUFSZQLVRGPR-HXUWFJFHSA-N
InChI=1S/C22H29FN4O2/c1-24-11-7-19-21(24)20(28)8-12-27(22(19)29)10-2-9-25-13-15-26(16-14-25)18-5-3-17(23)4-6-18/h3-7,11,20,28H,2,8-10,12-16H2,1H3/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H29FN4O2
Molecular Weight 400.4897
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 11:29:58 GMT 2023
Edited
by admin
on Sat Dec 16 11:29:58 GMT 2023
Record UNII
PRB4YD6QCE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUN-C5174 (R)-ISOMER
Common Name English
PYRROLO(3,2-C)AZEPIN-4(1H)-ONE, 5-(3-(4-(4-FLUOROPHENYL)-1-PIPERAZINYL)PROPYL)-5,6,7,8-TETRAHYDRO-8-HYDROXY-1-METHYL-, (8R)-
Systematic Name English
(8R)-5-(3-(4-(4-FLUOROPHENYL)PIPERAZIN-1-YL)PROPYL)-8-HYDROXY-1-METHYL-7,8-DIHYDRO-6H-PYRROLO(3,2-C)AZEPIN-4-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
PRB4YD6QCE
Created by admin on Sat Dec 16 11:29:58 GMT 2023 , Edited by admin on Sat Dec 16 11:29:58 GMT 2023
PRIMARY
CAS
191592-35-5
Created by admin on Sat Dec 16 11:29:58 GMT 2023 , Edited by admin on Sat Dec 16 11:29:58 GMT 2023
PRIMARY
PUBCHEM
9930860
Created by admin on Sat Dec 16 11:29:58 GMT 2023 , Edited by admin on Sat Dec 16 11:29:58 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER