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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H34N10O2
Molecular Weight 542.6354
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIIB-091

SMILES

CN1C=C(NC2=NC=CC(=N2)C3=CC=C4[C@@H](CCN(CC4=C3)C5COC5)NC(=O)C6=CN(N=N6)C(C)(C)C)C=N1

InChI

InChIKey=JSAQBOQCZJHWMA-XMMPIXPASA-N
InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H34N10O2
Molecular Weight 542.6354
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 14:29:07 GMT 2023
Edited
by admin
on Sat Dec 16 14:29:07 GMT 2023
Record UNII
MJ0LWX26KB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIIB-091
Common Name English
BIIB091
Common Name English
1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE, 1-(1,1-DIMETHYLETHYL)-N-((5R)-2,3,4,5-TETRAHYDRO-8-(2-((1-METHYL-1H-PYRAZOL-4-YL)AMINO)-4-PYRIMIDINYL)-2-(3-OXETANYL)-1H-2-BENZAZEPIN-5-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
MJ0LWX26KB
Created by admin on Sat Dec 16 14:29:07 GMT 2023 , Edited by admin on Sat Dec 16 14:29:07 GMT 2023
PRIMARY
SMS_ID
300000039365
Created by admin on Sat Dec 16 14:29:07 GMT 2023 , Edited by admin on Sat Dec 16 14:29:07 GMT 2023
PRIMARY
PUBCHEM
135355941
Created by admin on Sat Dec 16 14:29:07 GMT 2023 , Edited by admin on Sat Dec 16 14:29:07 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY