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Details

Stereochemistry ACHIRAL
Molecular Formula C13H8BrF2N5
Molecular Weight 352.137
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-4938581

SMILES

FC(F)C1=C2CN3N=CN=C3C4=CC(Br)=CC=C4N2C=N1

InChI

InChIKey=AFJRYPJIKHMNGL-UHFFFAOYSA-N
InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2

HIDE SMILES / InChI

Molecular Formula C13H8BrF2N5
Molecular Weight 352.137
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:33:16 GMT 2023
Edited
by admin
on Sat Dec 16 16:33:16 GMT 2023
Record UNII
ZK5NA2M82J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-4938581
Code English
5-(BIS(FLUORANYL)METHYL)-15-BROMANYL-2,4,8,9,11-PENTAZATETRACYCLO(11.4.0.02,6.08,12)HEPTADECA-1(17),3,5,9,11,13,15-HEPTAENE
Systematic Name English
9H-IMIDAZO(1,5-A)(1,2,4)TRIAZOLO(1,5-D)(1,4)BENZODIAZEPINE, 3-BROMO-10-(DIFLUOROMETHYL)-
Systematic Name English
15-BROMO-5-(DIFLUOROMETHYL)-2,4,8,9,11-PENTAZATETRACYCLO(11.4.0.02,6.08,12)HEPTADECA-1(13),3,5,9,11,14,16-HEPTAENE
Systematic Name English
3-BROMO-10-(DIFLUOROMETHYL)-9H-IMIDAZO(1,5-A)(1,2,4)TRIAZOLO(1,5-D)(1,4)BENZODIAZEPINE
Systematic Name English
Code System Code Type Description
CAS
883093-10-5
Created by admin on Sat Dec 16 16:33:16 GMT 2023 , Edited by admin on Sat Dec 16 16:33:16 GMT 2023
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FDA UNII
ZK5NA2M82J
Created by admin on Sat Dec 16 16:33:16 GMT 2023 , Edited by admin on Sat Dec 16 16:33:16 GMT 2023
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PUBCHEM
11624499
Created by admin on Sat Dec 16 16:33:16 GMT 2023 , Edited by admin on Sat Dec 16 16:33:16 GMT 2023
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WIKIPEDIA
Ro4938581
Created by admin on Sat Dec 16 16:33:16 GMT 2023 , Edited by admin on Sat Dec 16 16:33:16 GMT 2023
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EPA CompTox
DTXSID601045378
Created by admin on Sat Dec 16 16:33:16 GMT 2023 , Edited by admin on Sat Dec 16 16:33:16 GMT 2023
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