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Details

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

SHOW SMILES / InChI
Structure of 5-HT2 ANTAGONIST 1

SMILES

CN1C=CC2=C1C(O)CCN(CCCN3CCN(CC3)C4=CC=C(F)C=C4)C2=O

InChI

InChIKey=KBZUFSZQLVRGPR-UHFFFAOYSA-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

HIDE SMILES / InChI

Molecular Formula C22H29FN4O2
Molecular Weight 400.4897
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:29:57 GMT 2023
Edited
by admin
on Sat Dec 16 11:29:57 GMT 2023
Record UNII
LEV29G9Q9T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-HT2 ANTAGONIST 1
Common Name English
5-(3-(4-(4-FLUOROPHENYL)-1-PIPERAZINYL)PROPYL)-5,6,7,8-TETRAHYDRO-8-HYDROXY-1-METHYLPYRROLO(3,2-C)AZEPIN-4(1H)-ONE
Systematic Name English
SUN-C5174(UNDEFINED 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-
Systematic Name English
Code System Code Type Description
PUBCHEM
9952825
Created by admin on Sat Dec 16 11:29:57 GMT 2023 , Edited by admin on Sat Dec 16 11:29:57 GMT 2023
PRIMARY
FDA UNII
LEV29G9Q9T
Created by admin on Sat Dec 16 11:29:57 GMT 2023 , Edited by admin on Sat Dec 16 11:29:57 GMT 2023
PRIMARY
CAS
191592-09-3
Created by admin on Sat Dec 16 11:29:57 GMT 2023 , Edited by admin on Sat Dec 16 11:29:57 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Mechanism of Action Alpha 1 adrenergic receptor agonists Serotonin receptor antagonists, 18 Jun 2002 Discontinued - Phase-II for Arterial occlusive disorders in Japan (PO)
Related Record Type Details
ACTIVE MOIETY
SUN C5174: Alternative Names - SUN C 5174, Mechanism of Action - Alpha 1 adrenergic receptor agonists, Serotonin receptor antagonists, 18 Jun 2002 Discontinued - Phase-II for Arterial occlusive disorders in Japan (PO)