BDP TMR NHS ester

Catalog Number

ACM485397124-1

CAS

485397-12-4

Synonyms

2,5-dioxopyrrolidin-1-yl3-(5,5-difluoro-7-(4-methoxyphenyl)-1,3-dimethyl-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-2-yl)propanoate

IUPAC Name

(2,5-dioxopyrrolidin-1-yl)3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl]propanoate

Molecular Weight

495.3

Molecular Formula

C25H24BF2N3O5

Canonical SMILES

[B-]1(N2C(=CC=C2C3=CC=C(C=C3)OC)C=C4[N+]1=C(C(=C4C)CCC(=O)ON5C(=O)CCC5=O)C)(F)F

InChI

InChI=1S/C25H24BF2N3O5/c1-15-20(9-13-25(34)36-31-23(32)11-12-24(31)33)16(2)29-22(15)14-18-6-10-21(30(18)26(29,27)28)17-4-7-19(35-3)8-5-17/h4-8,10,14H,9,11-13H2,1-3H3

InChI Key

XMAZILQWJQABLQ-UHFFFAOYSA-N

Purity

95%

Storage

-20 °C in the dark

Excitation Maximum

545

• Catalog Number: ACM485397124-1
• CAS: 485397-12-4
• Synonyms: 2,5-dioxopyrrolidin-1-yl3-(5,5-difluoro-7-(4-methoxyphenyl)-1,3-dimethyl-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-2-yl)propanoate
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl)3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl]propanoate
• Molecular Weight: 495.3
• Molecular Formula: C25H24BF2N3O5
• Canonical SMILES: [B-]1(N2C(=CC=C2C3=CC=C(C=C3)OC)C=C4[N+]1=C(C(=C4C)CCC(=O)ON5C(=O)CCC5=O)C)(F)F
• InChI: InChI=1S/C25H24BF2N3O5/c1-15-20(9-13-25(34)36-31-23(32)11-12-24(31)33)16(2)29-22(15)14-18-6-10-21(30(18)26(29,27)28)17-4-7-19(35-3)8-5-17/h4-8,10,14H,9,11-13H2,1-3H3
• InChI Key: XMAZILQWJQABLQ-UHFFFAOYSA-N
• Purity: 95%
• Storage: -20 °C in the dark
• Excitation Maximum: 545