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Details

Stereochemistry ACHIRAL
Molecular Formula C24H22FNO3
Molecular Weight 391.4348
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3R,4S)-3-((3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL)-4-(4-HYDROXYPHENYL)-1-PHENYL-2-AZETIDINONE

SMILES

O[C@@H](CC[C@@H]1[C@H](N(C1=O)C2=CC=CC=C2)C3=CC=C(O)C=C3)C4=CC=C(F)C=C4

InChI

InChIKey=YWZUFJFIXFJKBD-XPWALMASSA-N
InChI=1S/C24H22FNO3/c25-18-10-6-16(7-11-18)22(28)15-14-21-23(17-8-12-20(27)13-9-17)26(24(21)29)19-4-2-1-3-5-19/h1-13,21-23,27-28H,14-15H2/t21-,22+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H22FNO3
Molecular Weight 391.4348
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 18:51:30 UTC 2023
Edited
by admin
on Sat Dec 16 18:51:30 UTC 2023
Record UNII
JMX6V14RUT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3R,4S)-3-((3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL)-4-(4-HYDROXYPHENYL)-1-PHENYL-2-AZETIDINONE
Systematic Name English
DESFLUOROANILINE ANALOG [USP IMPURITY]
Common Name English
(3R,4S)-3-((S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL)-4-(4-HYDROXYPHENYL)-1-PHENYLAZETIDIN-2-ONE
Systematic Name English
DESFLUOROANILINE ANALOG
Common Name English
2-AZETIDINONE, 3-((3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL)-4-(4-HYDROXYPHENYL)-1-PHENYL-, (3R,4S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00730350
Created by admin on Sat Dec 16 18:51:31 UTC 2023 , Edited by admin on Sat Dec 16 18:51:31 UTC 2023
PRIMARY
FDA UNII
JMX6V14RUT
Created by admin on Sat Dec 16 18:51:31 UTC 2023 , Edited by admin on Sat Dec 16 18:51:31 UTC 2023
PRIMARY
PUBCHEM
58827445
Created by admin on Sat Dec 16 18:51:31 UTC 2023 , Edited by admin on Sat Dec 16 18:51:31 UTC 2023
PRIMARY
CAS
302781-98-2
Created by admin on Sat Dec 16 18:51:31 UTC 2023 , Edited by admin on Sat Dec 16 18:51:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP