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Chemical structure of IR 813 (tosylate)

GB58904

IR 813 (tosylate)

Also known as (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole;4-methylbenzenesulfonate

IR 813 (tosylate) (catalogue number GB58904) is a research-grade chemical available from LABO Scientific in Israel, CAS registry number 134127-48-3. Molecular formula C47H47ClN2O3S, molecular weight 755.41. IUPAC name: (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole;4-methylbenzenesulfonate. Supplied in 3 pack sizes, from 1g at ₪220.26 to 25g at ₪2,867.48; the final price is confirmed on your quote, and the lot certificate of analysis and safety data sheet are emailed with your order confirmation.

ChemicalCAS134127-48-3MW755.41FormulaC47H47ClN2O3S
CAS number
134127-48-3
Molecular weight
755.41
Formula
C47H47ClN2O3S
Solubility
DMSO ： 62·5 mg/mL (82·74 mM; Need ultrasonic)
InChIKey
LQVQHHTYXSPHSQ-UHFFFAOYSA-M
Catalogue number
GB58904
Brand
GLPBIO
Computed properties PubChem CID 15279332 · TPSA 71.8 Ų · H-bond donors 0 · H-bond acceptors 4
TPSA
71.8 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
54

SMILES CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C4=C(/C(=C/C=C\5/C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C

Computed descriptors from PubChem (CID 15279332), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
Quoted in ILS, excl. VAT. Add the item to your quote and we confirm the final price, usually the same business day.
Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.