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Details

Stereochemistry ACHIRAL
Molecular Formula C34H24BBr2F2N3O2
Molecular Weight 715.189
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADPM-06

SMILES

COC1=CC=C(C=C1)C2=C(Br)C(=C3N=C4C(=C(Br)C(C5=CC=C(OC)C=C5)=[N+]4[B-](F)(F)N23)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=YVKIKMDAXWFEJI-UHFFFAOYSA-N
InChI=1S/C34H24BBr2F2N3O2/c1-43-25-17-13-23(14-18-25)31-29(36)27(21-9-5-3-6-10-21)33-40-34-28(22-11-7-4-8-12-22)30(37)32(42(34)35(38,39)41(31)33)24-15-19-26(44-2)20-16-24/h3-20H,1-2H3

HIDE SMILES / InChI

Molecular Formula C34H24BBr2F2N3O2
Molecular Weight 715.189
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 05:33:29 GMT 2023
Edited
by admin
on Sat Dec 16 05:33:29 GMT 2023
Record UNII
M887PT8U5Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADPM-06
Common Name English
2,8-DIBROMO-5,5-DIFLUORO-3,7-BIS(4-METHOXYPHENYL)-1,9-DIPHENYL-5H-DIPYRROLO(1,2-C:2',1'-F)(1,3,5,2)TRIAZABORININ-4-IUM-5-UIDE
Systematic Name English
ADPM06
Common Name English
BORON, (4-BROMO-N-(4-BROMO-5-(4-METHOXYPHENYL)-3-PHENYL-2H-PYRROL-2-YLIDENE-.KAPPA.N)-5-(4-METHOXYPHENYL)-3-PHENYL-1H-PYRROL-2-AMINATO-.KAPPA.N1)DIFLUORO-, (T-4)
Common Name English
Code System Code Type Description
CAS
490035-90-0
Created by admin on Sat Dec 16 05:33:29 GMT 2023 , Edited by admin on Sat Dec 16 05:33:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID00197666
Created by admin on Sat Dec 16 05:33:29 GMT 2023 , Edited by admin on Sat Dec 16 05:33:29 GMT 2023
PRIMARY
FDA UNII
M887PT8U5Y
Created by admin on Sat Dec 16 05:33:29 GMT 2023 , Edited by admin on Sat Dec 16 05:33:29 GMT 2023
PRIMARY
PUBCHEM
71587749
Created by admin on Sat Dec 16 05:33:29 GMT 2023 , Edited by admin on Sat Dec 16 05:33:29 GMT 2023
PRIMARY