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API Impurities

Simeprevir

Reference StandardAvailable on request

Simeprevir (CAS 923604-59-5) supplier Zemixal. Request a quote with price, lead time and documents. Catalogue no. ZX-042973.

Pack sizes
Simeprevir chemical structure
CAS number923604-59-5
FormulaC38H47N5O7S2
Molar mass749.9 g/mol
Physical formSolid
HS code38229090
InChIKeyJTZZSQYMACOLNN-VDWJNHBNSA-N
IUPAC name(1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide

About Simeprevir

Simeprevir sits in our API Impurities section and ships worldwide from stock or short lead time. Identity at a glance (Reference Standard): CAS 923604-59-5, formula C38H47N5O7S2 and molar mass 749.9 g/mol. It is handled as a solid.

Where it is used

  • Analytical method development
  • Method validation (AMV)
  • QC release testing
  • ANDA / DMF filings

Handling and storage

It carries the GHS signal word Warning (H302, H319, H362 and H410), so wear gloves and eye protection and work with good ventilation.

Order it in 10 mg, 25 mg, 50 mg and 100 mg packs or ask for a bulk quotation. Every shipment includes a certificate of analysis with characterisation data. Add it to your quote list and our team replies with price, lead time and shipping options within one business day.

Typical uses

  • Analytical method development
  • Method validation (AMV)
  • QC release testing
  • ANDA / DMF filings

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Specifications and identifiers

Specifications of Simeprevir
Product nameSimeprevir
Catalogue numberZX-042973
CAS number923604-59-5
IUPAC name(1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide
Molecular formulaC38H47N5O7S2
Molar mass749.9 g/mol
Exact mass749.2917
GradeReference Standard
Physical formSolid
XLogP34.8
H-bond donors / acceptors2 / 10
Topological polar surface area194 Ų
HS code38229090
InChIKeyJTZZSQYMACOLNN-VDWJNHBNSA-N
SMILESCC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC
PubChem CID24873435
SynonymsTMC-435, TMC 435, 435, TMC, HCV-PI

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS07 Irritant or harmful
Irritant or harmful
GHS08 Health hazard
Health hazard
GHS09 Hazardous to the environment
Hazardous to the environment

Signal word Warning

  • H302Harmful if swallowed
  • H319Causes serious eye irritation
  • H362May cause harm to breast-fed children
  • H410Very toxic to aquatic life with long lasting effects
  • H413May cause long lasting harmful effects to aquatic life

Precautionary statements P203, P260, P263, P264, P264 + P265, P270, P273, P280, P301 + P317, P305 + P351 + P338, P318, P330, P337 + P317, P391, P405, P501

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of Simeprevir
10 mgQuoted on request
25 mgQuoted on request
50 mgQuoted on request
100 mgQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about Simeprevir

Which CAS number identifies Simeprevir?
Simeprevir is registered under CAS 923604-59-5. You may also see it listed as TMC-435, TMC 435, 435, TMC. Our catalogue number for this item is ZX-042973.
What are the formula and molar mass of Simeprevir?
For Simeprevir, its formula is C38H47N5O7S2 and its molar mass is 749.9 g/mol. InChIKey JTZZSQYMACOLNN-VDWJNHBNSA-N lets you match it in any structure database.
What grade and pack sizes are available for Simeprevir?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with Simeprevir?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Simeprevir to my country?
Yes. Because Simeprevir is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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