Cyanine5 NHS ester

Catalog Number

ACM1032678424-1

CAS

1032678-42-4

Synonyms

1-(8-((2,5-dioxopyrrolidin-1-yl)oxy)-8-oxooctyl)-3,3-dimethyl-2-((1E,3E,5Z)-5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-iumchloride

IUPAC Name

(2,5-dioxopyrrolidin-1-yl)8-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]octanoate;hydrochloride

Molecular Weight

616.2

Molecular Formula

C36H42ClN3O4

Canonical SMILES

CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCCCC(=O)ON5C(=O)CCC5=O)(C)C)C)C.Cl

InChI

InChI=1S/C38H46N3O4.ClH/c1-37(2)28-18-13-15-20-30(28)39(5)32(37)22-10-9-11-23-33-38(3,4)29-19-14-16-21-31(29)40(33)27-17-8-6-7-12-24-36(44)45-41-34(42)25-26-35(41)43;/h9-11,13-16,18-23H,6-8,12,17,24-27H2,1-5H3;1H/q+1;

InChI Key

DOOTYHJFDNJMLS-UHFFFAOYSA-N

Purity

95%

Appearance

Dark blue powder

Storage

-20 °C and dry

• Catalog Number: ACM1032678424-1
• CAS: 1032678-42-4
• Synonyms: 1-(8-((2,5-dioxopyrrolidin-1-yl)oxy)-8-oxooctyl)-3,3-dimethyl-2-((1E,3E,5Z)-5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-iumchloride
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl)8-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]octanoate;hydrochloride
• Molecular Weight: 616.2
• Molecular Formula: C36H42ClN3O4
• Canonical SMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCCCC(=O)ON5C(=O)CCC5=O)(C)C)C)C.Cl
• InChI: InChI=1S/C38H46N3O4.ClH/c1-37(2)28-18-13-15-20-30(28)39(5)32(37)22-10-9-11-23-33-38(3,4)29-19-14-16-21-31(29)40(33)27-17-8-6-7-12-24-36(44)45-41-34(42)25-26-35(41)43;/h9-11,13-16,18-23H,6-8,12,17,24-27H2,1-5H3;1H/q+1
• InChI Key: DOOTYHJFDNJMLS-UHFFFAOYSA-N
• Purity: 95%
• Appearance: Dark blue powder
• Storage: -20 °C and dry