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Details

Stereochemistry RACEMIC
Molecular Formula C22H27NO2
Molecular Weight 337.4553
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROXIBUTENE

SMILES

CCC(=O)OC(CC1=CC=CC=C1)(C(=C)CN(C)C)C2=CC=CC=C2

InChI

InChIKey=QNYRJYLGBCLNFA-UHFFFAOYSA-N
InChI=1S/C22H27NO2/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/h6-15H,2,5,16-17H2,1,3-4H3

HIDE SMILES / InChI

Molecular Formula C22H27NO2
Molecular Weight 337.4553
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 Fri Dec 15 16:06:37 GMT 2023
Edited
by admin
on Fri Dec 15 16:06:37 GMT 2023
Record UNII
7F228A0THI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROXIBUTENE
INN  
INN  
Official Name English
3-BUTEN-2-OL, 3-((DIMETHYLAMINO)METHYL)-1,2-DIPHENYL-, PROPIONATE (ESTER)
Common Name English
BA-40088
Code English
BENZENEETHANOL, .ALPHA.-(1-((DIMETHYLAMINO)METHYL)ETHENYL)-.ALPHA.-PHENYL-, 1-PROPANOATE
Systematic Name English
proxibutene [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C241
Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023
Code System Code Type Description
FDA UNII
7F228A0THI
Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023
PRIMARY
EVMPD
SUB10148MIG
Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104265
Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023
PRIMARY
NCI_THESAURUS
C75072
Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023
PRIMARY
CAS
14089-84-0
Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023
PRIMARY
INN
2945
Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023
PRIMARY
SMS_ID
100000080839
Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID00864467
Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023
PRIMARY
PUBCHEM
191317
Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY