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Details

Stereochemistry MIXED
Molecular Formula C21H25NO2.BrH
Molecular Weight 404.341
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EP-2306

SMILES

Br.CN1CC(O)(OC2CCCCC12)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChIKey=BQLLEQILZSTKAT-UHFFFAOYSA-N
InChI=1S/C21H25NO2.BrH/c1-22-15-21(23,24-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16;/h2-4,7-8,11-14,19-20,23H,5-6,9-10,15H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H25NO2
Molecular Weight 323.4287
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:53:42 GMT 2023
Edited
by admin
on Sat Dec 16 11:53:42 GMT 2023
Record UNII
96VEK091N5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EP-2306
Common Name English
2H-1,4-BENZOXAZIN-2-OL, 2-(1,1'-BIPHENYL)-4-YLOCTAHYDRO-4-METHYL-, HYDROBROMIDE (1:1)
Systematic Name English
2H-1,4-BENZOXAZIN-2-OL, 2-(1,1'-BIPHENYL)-4-YLOCTAHYDRO-4-METHYL-, HYDROBROMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
96VEK091N5
Created by admin on Sat Dec 16 11:53:42 GMT 2023 , Edited by admin on Sat Dec 16 11:53:42 GMT 2023
PRIMARY
CAS
827044-80-4
Created by admin on Sat Dec 16 11:53:42 GMT 2023 , Edited by admin on Sat Dec 16 11:53:42 GMT 2023
PRIMARY
PUBCHEM
121225716
Created by admin on Sat Dec 16 11:53:42 GMT 2023 , Edited by admin on Sat Dec 16 11:53:42 GMT 2023
PRIMARY
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