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Details

Stereochemistry RACEMIC
Molecular Formula C22H29NO2
Molecular Weight 339.4712
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPOXYPHENE, (±)-

SMILES

CCC(=O)O[C@@](CC1=CC=CC=C1)([C@H](C)CN(C)C)C2=CC=CC=C2

InChI

InChIKey=XLMALTXPSGQGBX-GCJKJVERSA-N
InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H29NO2
Molecular Weight 339.4712
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 14:59:35 UTC 2023
Edited
by admin
on Fri Dec 15 14:59:35 UTC 2023
Record UNII
II2G62OV6F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPOXYPHENE, (±)-
Common Name English
PROPOXYPHENE, DL-
Common Name English
(±)-PROPOXYPHENE
Common Name English
BENZENEETHANOL, .ALPHA.-((1R)-2-(DIMETHYLAMINO)-1-METHYLETHYL)-.ALPHA.-PHENYL-, 1-PROPANOATE, (.ALPHA.S)-REL-
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C67413
Created by admin on Fri Dec 15 14:59:35 UTC 2023 , Edited by admin on Fri Dec 15 14:59:35 UTC 2023
NCI_THESAURUS C241
Created by admin on Fri Dec 15 14:59:35 UTC 2023 , Edited by admin on Fri Dec 15 14:59:35 UTC 2023
Code System Code Type Description
CAS
2621-61-6
Created by admin on Fri Dec 15 14:59:35 UTC 2023 , Edited by admin on Fri Dec 15 14:59:35 UTC 2023
PRIMARY
FDA UNII
II2G62OV6F
Created by admin on Fri Dec 15 14:59:35 UTC 2023 , Edited by admin on Fri Dec 15 14:59:35 UTC 2023
PRIMARY
NCI_THESAURUS
C61711
Created by admin on Fri Dec 15 14:59:35 UTC 2023 , Edited by admin on Fri Dec 15 14:59:35 UTC 2023
PRIMARY
PUBCHEM
10100
Created by admin on Fri Dec 15 14:59:35 UTC 2023 , Edited by admin on Fri Dec 15 14:59:35 UTC 2023
PRIMARY
SMS_ID
100000078898
Created by admin on Fri Dec 15 14:59:35 UTC 2023 , Edited by admin on Fri Dec 15 14:59:35 UTC 2023
PRIMARY
CAS
77-50-9
Created by admin on Fri Dec 15 14:59:35 UTC 2023 , Edited by admin on Fri Dec 15 14:59:35 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY