BDPTR amine

Catalog Number

ACM2183473187-1

CAS

2183473-18-7

Synonyms

6-(2-(4-(5,5-difluoro-7-(thiophen-2-yl)-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)phenoxy)acetamido)hexan-1-aminiumchloride

IUPAC Name

6-[[2-[4-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)phenoxy]acetyl]amino]hexylazanium;chloride

Molecular Weight

558.9

Molecular Formula

C27H30BClF2N4O2S

Canonical SMILES

[B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)NCCCCCC[NH3+])(F)F.[Cl-]

InChI

InChI=1S/C27H29BF2N4O2S.ClH/c29-28(30)33-21(18-22-10-14-25(34(22)28)26-6-5-17-37-26)9-13-24(33)20-7-11-23(12-8-20)36-19-27(35)32-16-4-2-1-3-15-31;/h5-14,17-18H,1-4,15-16,19,31H2,(H,32,35);1H

InChI Key

DSCISRRJOISYKQ-UHFFFAOYSA-N

Purity

96%

Storage

-20 °C in the dark

• Catalog Number: ACM2183473187-1
• CAS: 2183473-18-7
• Synonyms: 6-(2-(4-(5,5-difluoro-7-(thiophen-2-yl)-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)phenoxy)acetamido)hexan-1-aminiumchloride
• IUPAC Name: 6-[[2-[4-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)phenoxy]acetyl]amino]hexylazanium;chloride
• Molecular Weight: 558.9
• Molecular Formula: C27H30BClF2N4O2S
• Canonical SMILES: [B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)NCCCCCC[NH3+])(F)F.[Cl-]
• InChI: InChI=1S/C27H29BF2N4O2S.ClH/c29-28(30)33-21(18-22-10-14-25(34(22)28)26-6-5-17-37-26)9-13-24(33)20-7-11-23(12-8-20)36-19-27(35)32-16-4-2-1-3-15-31;/h5-14,17-18H,1-4,15-16,19,31H2,(H,32,35);1H
• InChI Key: DSCISRRJOISYKQ-UHFFFAOYSA-N
• Purity: 96%
• Storage: -20 °C in the dark