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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30N2O2
Molecular Weight 414.5393
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AJG-049 FREE BASE

SMILES

COC1=CC=C(CCN2CCC[C@@H]2CN3C4=C(COC5=C3C=CC=C5)C=CC=C4)C=C1

InChI

InChIKey=REUFESBNLHXVHN-HSZRJFAPSA-N
InChI=1S/C27H30N2O2/c1-30-24-14-12-21(13-15-24)16-18-28-17-6-8-23(28)19-29-25-9-3-2-7-22(25)20-31-27-11-5-4-10-26(27)29/h2-5,7,9-15,23H,6,8,16-20H2,1H3/t23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H30N2O2
Molecular Weight 414.5393
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 Sat Dec 16 14:44:56 GMT 2023
Edited
by admin
on Sat Dec 16 14:44:56 GMT 2023
Record UNII
436KSO3HQN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AJG-049 FREE BASE
Code English
5,11-DIHYDRO-5-(((2R)-1-(2-(4-METHOXYPHENYL)ETHYL)-2-PYRROLIDINYL)METHYL)DIBENZ(B,E)(1,4)OXAZEPINE
Systematic Name English
DIBENZ(B,E)(1,4)OXAZEPINE, 5,11-DIHYDRO-5-(((2R)-1-(2-(4-METHOXYPHENYL)ETHYL)-2-PYRROLIDINYL)METHYL)-
Systematic Name English
AJG049 FREE BASE
Code English
Code System Code Type Description
FDA UNII
436KSO3HQN
Created by admin on Sat Dec 16 14:44:57 GMT 2023 , Edited by admin on Sat Dec 16 14:44:57 GMT 2023
PRIMARY
PUBCHEM
9823094
Created by admin on Sat Dec 16 14:44:57 GMT 2023 , Edited by admin on Sat Dec 16 14:44:57 GMT 2023
PRIMARY
CAS
195991-49-2
Created by admin on Sat Dec 16 14:44:57 GMT 2023 , Edited by admin on Sat Dec 16 14:44:57 GMT 2023
PRIMARY
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