BDP 581/591 NHS ester

Catalog Number

ACM654651215-1

CAS

654651-21-5

IUPAC Name

(2,5-dioxopyrrolidin-1-yl)3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate

Molecular Weight

489.3

Molecular Formula

C26H22BF2N3O4

Canonical SMILES

[B-]1(N2C(=CC=C2CCC(=O)ON3C(=O)CCC3=O)C=C4[N+]1=C(C=C4)C=CC=CC5=CC=CC=C5)(F)F

InChI

InChI=1S/C26H22BF2N3O4/c28-27(29)30-20(9-5-4-8-19-6-2-1-3-7-19)10-12-22(30)18-23-13-11-21(31(23)27)14-17-26(35)36-32-24(33)15-16-25(32)34/h1-13,18H,14-17H2/b8-4+,9-5+

InChI Key

HHJAMTPLXKVOAY-KBXRYBNXSA-N

Purity

95%

Storage

-20 °C in the dark

Excitation Maximum

585

• Catalog Number: ACM654651215-1
• CAS: 654651-21-5
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl)3-[2,2-difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate
• Molecular Weight: 489.3
• Molecular Formula: C26H22BF2N3O4
• Canonical SMILES: [B-]1(N2C(=CC=C2CCC(=O)ON3C(=O)CCC3=O)C=C4[N+]1=C(C=C4)C=CC=CC5=CC=CC=C5)(F)F
• InChI: InChI=1S/C26H22BF2N3O4/c28-27(29)30-20(9-5-4-8-19-6-2-1-3-7-19)10-12-22(30)18-23-13-11-21(31(23)27)14-17-26(35)36-32-24(33)15-16-25(32)34/h1-13,18H,14-17H2/b8-4+,9-5+
• InChI Key: HHJAMTPLXKVOAY-KBXRYBNXSA-N
• Purity: 95%
• Storage: -20 °C in the dark
• Excitation Maximum: 585