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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26Cl2N4O2
Molecular Weight 437.363
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BBP-398

SMILES

C[C@@H]1OCC2(CCN(CC2)C3=C(C)C(=O)N(C(C)=N3)C4=C(Cl)C(Cl)=CC=C4)[C@@H]1N

InChI

InChIKey=ABKATOFAZUIEJX-SCLBCKFNSA-N
InChI=1S/C21H26Cl2N4O2/c1-12-19(26-9-7-21(8-10-26)11-29-13(2)18(21)24)25-14(3)27(20(12)28)16-6-4-5-15(22)17(16)23/h4-6,13,18H,7-11,24H2,1-3H3/t13-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H26Cl2N4O2
Molecular Weight 437.363
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:57:42 GMT 2023
Edited
by admin
on Sat Dec 16 15:57:42 GMT 2023
Record UNII
C825F38B80
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BBP-398
Code English
IACS-15509
Code English
BMS-986466
Code English
4(3H)-Pyrimidinone, 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]dec-8-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-
Systematic Name English
Code System Code Type Description
FDA UNII
C825F38B80
Created by admin on Sat Dec 16 15:57:42 GMT 2023 , Edited by admin on Sat Dec 16 15:57:42 GMT 2023
PRIMARY
PUBCHEM
146364430
Created by admin on Sat Dec 16 15:57:42 GMT 2023 , Edited by admin on Sat Dec 16 15:57:42 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY