BDY 650-X,SE

Catalog Number

ACM235439040-1

CAS

235439-04-0

Synonyms

(T-4)-[2-[4-[2-[2-[([2,2'-Bi-1H-pyrrol]-5-yl-kappaN1)methylene]-2H-pyrrol-5-yl-kappaN]ethenyl]phenoxy]-N-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]acetamidato]difluoroboron

IUPAC Name

(2,5-dioxopyrrolidin-1-yl)6-[[2-[4-[(E)-2-[2,2-difluoro-12-(1H-pyrrol-2-yl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]acetyl]amino]hexanoate

Molecular Weight

643.45

Molecular Formula

C33H32BF2N5O6

Canonical SMILES

[B-]1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C=C5[N+]1=C(C=C5)C6=CC=CN6)(F)F

InChI

InChI=1S/C33H32BF2N5O6/c35-34(36)39-24(11-12-25(39)21-26-13-16-29(40(26)34)28-5-4-20-37-28)10-7-23-8-14-27(15-9-23)46-22-30(42)38-19-3-1-2-6-33(45)47-41-31(43)17-18-32(41)44/h4-5,7-16,20-21,37H,1-3,6,17-19,22H2,(H,38,42)/b10-7+

InChI Key

CDXXFTJLAKSQSR-JXMROGBWSA-N

Purity

98%

• Catalog Number: ACM235439040-1
• CAS: 235439-04-0
• Synonyms: (T-4)-[2-[4-[2-[2-[([2,2'-Bi-1H-pyrrol]-5-yl-kappaN1)methylene]-2H-pyrrol-5-yl-kappaN]ethenyl]phenoxy]-N-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]acetamidato]difluoroboron
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl)6-[[2-[4-[(E)-2-[2,2-difluoro-12-(1H-pyrrol-2-yl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]acetyl]amino]hexanoate
• Molecular Weight: 643.45
• Molecular Formula: C33H32BF2N5O6
• Canonical SMILES: [B-]1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C=C5[N+]1=C(C=C5)C6=CC=CN6)(F)F
• InChI: InChI=1S/C33H32BF2N5O6/c35-34(36)39-24(11-12-25(39)21-26-13-16-29(40(26)34)28-5-4-20-37-28)10-7-23-8-14-27(15-9-23)46-22-30(42)38-19-3-1-2-6-33(45)47-41-31(43)17-18-32(41)44/h4-5,7-16,20-21,37H,1-3,6,17-19,22H2,(H,38,42)/b10-7+
• InChI Key: CDXXFTJLAKSQSR-JXMROGBWSA-N
• Purity: 98%