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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H24BNO
Molecular Weight 353.264
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tetrahydro-1-(2-methylphenyl)-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole, (3aS)-

SMILES

CC1=C(C=CC=C1)B2OC([C@@H]3CCCN23)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=XHMKFCAQQGBIPZ-QHCPKHFHSA-N
InChI=1S/C24H24BNO/c1-19-11-8-9-16-22(19)25-26-18-10-17-23(26)24(27-25,20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-9,11-16,23H,10,17-18H2,1H3/t23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H24BNO
Molecular Weight 353.264
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 21:20:06 GMT 2025
Edited
by admin
on Tue Apr 01 21:20:06 GMT 2025
Record UNII
8L7C2G5WUP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tetrahydro-1-(2-methylphenyl)-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole, (3aS)-
Systematic Name English
(3aS)-Tetrahydro-1-(2-methylphenyl)-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole
Preferred Name English
1H,3H-Pyrrolo[1,2-c][1,3,2]oxazaborole, tetrahydro-1-(2-methylphenyl)-3,3-diphenyl-, (3aS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11204435
Created by admin on Tue Apr 01 21:20:06 GMT 2025 , Edited by admin on Tue Apr 01 21:20:06 GMT 2025
PRIMARY
CAS
463941-07-3
Created by admin on Tue Apr 01 21:20:06 GMT 2025 , Edited by admin on Tue Apr 01 21:20:06 GMT 2025
PRIMARY
FDA UNII
8L7C2G5WUP
Created by admin on Tue Apr 01 21:20:06 GMT 2025 , Edited by admin on Tue Apr 01 21:20:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID90458596
Created by admin on Tue Apr 01 21:20:06 GMT 2025 , Edited by admin on Tue Apr 01 21:20:06 GMT 2025
PRIMARY
MERCK INDEX
m11731
Created by admin on Tue Apr 01 21:20:06 GMT 2025 , Edited by admin on Tue Apr 01 21:20:06 GMT 2025
PRIMARY