BDP 630/650 NHS ester

Catalog Number

ACM380367486-1

CAS

380367-48-6

Synonyms

BDY 630-X,SE

IUPAC Name

(2,5-dioxopyrrolidin-1-yl)6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-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

660.5

Molecular Formula

C33H31BF2N4O6S

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=CS6)(F)F

InChI

InChI=1S/C33H31BF2N4O6S/c35-34(36)38-24(11-12-25(38)21-26-13-16-28(39(26)34)29-5-4-20-47-29)10-7-23-8-14-27(15-9-23)45-22-30(41)37-19-3-1-2-6-33(44)46-40-31(42)17-18-32(40)43/h4-5,7-16,20-21H,1-3,6,17-19,22H2,(H,37,41)/b10-7+

InChI Key

TZBGLTNFAMQEEZ-JXMROGBWSA-N

Purity

95%

Storage

-20 °C in the dark

Excitation Maximum

628

• Catalog Number: ACM380367486-1
• CAS: 380367-48-6
• Synonyms: BDY 630-X,SE
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl)6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-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: 660.5
• Molecular Formula: C33H31BF2N4O6S
• 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=CS6)(F)F
• InChI: InChI=1S/C33H31BF2N4O6S/c35-34(36)38-24(11-12-25(38)21-26-13-16-28(39(26)34)29-5-4-20-47-29)10-7-23-8-14-27(15-9-23)45-22-30(41)37-19-3-1-2-6-33(44)46-40-31(42)17-18-32(40)43/h4-5,7-16,20-21H,1-3,6,17-19,22H2,(H,37,41)/b10-7+
• InChI Key: TZBGLTNFAMQEEZ-JXMROGBWSA-N
• Purity: 95%
• Storage: -20 °C in the dark
• Excitation Maximum: 628