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Details

Stereochemistry RACEMIC
Molecular Formula C17H21NO
Molecular Weight 255.3547
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SN-2

SMILES

CC1=CC(C)=C(C2=NO[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]23)C(C)=C1

InChI

InChIKey=WKLZNTYMDOPBSE-YXPYIKCWSA-N
InChI=1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3/t12-,13+,15-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H21NO
Molecular Weight 255.3547
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:01:10 GMT 2025
Edited
by admin
on Wed Apr 02 11:01:10 GMT 2025
Record UNII
R4LCV6XQR7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SN-2
Code English
3-MESITYL-3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANOBENZO(D)ISOXAZOLE
Preferred Name English
4,7-METHANO-1,2-BENZISOXAZOLE, 3A,4,5,6,7,7A-HEXAHYDRO-3-(2,4,6-TRIMETHYLPHENYL)-
Systematic Name English
3A,4,5,6,7,7A-HEXAHYDRO-3-(2,4,6-TRIMETHYLPHENYL)-4,7-METHANO-1,2-BENZISOXAZOLE
Systematic Name English
Code System Code Type Description
PUBCHEM
1202608
Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025
PRIMARY
WIKIPEDIA
SN-2
Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID501336631
Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025
PRIMARY
CAS
823218-99-1
Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
73237-21-5
Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025
PRIMARY
FDA UNII
R4LCV6XQR7
Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY