6-Carboxytetramethylrhodamine N-succinimidyl ester

C₂₉H₂₅N₃O₇CAS 150810-69-8527.53 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Lactam Tertiary amine

Properties

Molecular formula: C₂₉H₂₅N₃O₇
Molar mass: 527.53 g/mol
Exact mass: 527.1693 Da
logP: 3.25Crippen estimate
Polar surface area: 121.6 Å²
H-bond donors / acceptors: 0 / 8
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

150810-69-8

SMILES

CN(C)c1ccc2c(-c3cc(C(=O)ON4C(=O)CCC4=O)ccc3C(=O)[O-])c3ccc(N(C)C)cc3[o+]c2c1

InChIKey

PAOQTZWNYMMSEE-UHFFFAOYSA-N

InChI

InChI=1S/C29H25N3O7/c1-30(2)17-6-9-20-23(14-17)38-24-15-18(31(3)4)7-10-21(24)27(20)22-13-16(5-8-19(22)28(35)36)29(37)39-32-25(33)11-12-26(32)34/h5-10,13-15H,11-12H2,1-4H3

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Names and synonyms

5 names

Xanthylium, 9-[2-carboxy-5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]-3,6-bis(dimethylamino)-, inner salt
6-TAMRA-SE
6-TAMRA-NHS ester
2-[3-(Dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate
6-Carboxy-tetramethylrhodamine N-succinimidyl ester

Work with 6-Carboxytetramethylrhodamine N-succinimidyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Carboxytetramethylrhodamine91809-67-566 % similar Dabcyl SE dye146998-31-446 % similar Rhodamine B81-88-946 % similar Rhodamine 11013558-31-137 % similar 5-Carboxytetramethylrhodamine91809-66-437 % similar 2,5-Dioxopyrrolidin-1-yl benzoate23405-15-435 % similar m-Maleimidobenzoyl-N-hydroxysuccinimide58626-38-335 % similar Carboxyfluorescein succinimidyl ester92557-81-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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