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Details

Stereochemistry ACHIRAL
Molecular Formula C19H23FN2O3
Molecular Weight 346.3959
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROXOPERONE

SMILES

CN1C(=O)CC2(CCN(CCCC(=O)C3=CC=C(F)C=C3)CC2)C1=O

InChI

InChIKey=YJPFLFAWBYRCEH-UHFFFAOYSA-N
InChI=1S/C19H23FN2O3/c1-21-17(24)13-19(18(21)25)8-11-22(12-9-19)10-2-3-16(23)14-4-6-15(20)7-5-14/h4-7H,2-3,8-13H2,1H3

HIDE SMILES / InChI

Molecular Formula C19H23FN2O3
Molecular Weight 346.3959
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:28:41 GMT 2023
Edited
by admin
on Fri Dec 15 16:28:41 GMT 2023
Record UNII
5RS1CY853F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROXOPERONE
INN  
INN  
Official Name English
NSC-186062
Code English
roxoperone [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28197
Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023
Code System Code Type Description
NSC
186062
Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023
PRIMARY
NCI_THESAURUS
C76446
Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023
PRIMARY
FDA UNII
5RS1CY853F
Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023
PRIMARY
PUBCHEM
71117
Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID20182317
Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023
PRIMARY
CAS
2804-00-4
Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023
PRIMARY
INN
2233
Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023
PRIMARY
ChEMBL
CHEMBL2107081
Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023
PRIMARY
SMS_ID
100000084368
Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023
PRIMARY
EVMPD
SUB10402MIG
Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY