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Details

Stereochemistry RACEMIC
Molecular Formula C18H29NO3
Molecular Weight 307.4278
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-1433 FREE BASE

SMILES

CCN(CC)CCCOC(=O)C(O)(C(C)C)C1=CC=CC=C1

InChI

InChIKey=UJPHMJMXYUUISU-UHFFFAOYSA-N
InChI=1S/C18H29NO3/c1-5-19(6-2)13-10-14-22-17(20)18(21,15(3)4)16-11-8-7-9-12-16/h7-9,11-12,15,21H,5-6,10,13-14H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C18H29NO3
Molecular Weight 307.4278
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 11:50:03 GMT 2023
Edited
by admin
on Sat Dec 16 11:50:03 GMT 2023
Record UNII
090P31D8XK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAY-1433 FREE BASE
Common Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-(1-METHYLETHYL)-, 3-(DIETHYLAMINO)PROPYL ESTER
Systematic Name English
MANDELIC ACID, .ALPHA.-ISOPROPYL-, 3-(DIETHYLAMINO)PROPYL ESTER
Systematic Name English
Code System Code Type Description
CAS
15421-87-1
Created by admin on Sat Dec 16 11:50:03 GMT 2023 , Edited by admin on Sat Dec 16 11:50:03 GMT 2023
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PUBCHEM
27277
Created by admin on Sat Dec 16 11:50:03 GMT 2023 , Edited by admin on Sat Dec 16 11:50:03 GMT 2023
PRIMARY
FDA UNII
090P31D8XK
Created by admin on Sat Dec 16 11:50:03 GMT 2023 , Edited by admin on Sat Dec 16 11:50:03 GMT 2023
PRIMARY