Ertugliflozin pidolate
Also known as Ertugliflozin L-pyroglutamic acid, Ertugliflozin L-pyroglutamic Acid (1:1), (S)-5-oxopyrrolidine-2-carboxylic acid--(1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (1/1)
Key facts
What buyers check first
- CAS number
- 1210344-83-4
- Formula
- C27H32ClNO10
- Molar mass
- 566.00 g/mol
- EC number
- 863-196-4
- HS code
- 293890
- Category
- Impurities and reference standards
What is Ertugliflozin pidolate?
Plain description, key identifiers and synonyms
Ertugliflozin pidolate is a chemical substance with the molecular formula C27H32ClNO10 and a molar mass of 566.00 g/mol. Its CAS registry number is 1210344-83-4. The IUPAC name is (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol, (2S)-5-oxopyrrolidine-2-carboxylic acid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol, (2S)-5-oxopyrrolidine-2-carboxylic acid
- CAS number
- 1210344-83-4
- EC number
- 863-196-4
- Molecular formula
- C27H32ClNO10
- UNII
- MLU731K321
- MDL number
- MFCD27956909
- InChIKey
- YHIUPZFKHZTLSH-LXYIGGQGSA-N
- InChI
- InChI=1S/C22H25ClO7.C5H7NO3/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22;7-4-2-1-3(6-4)5(8)9/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t18-,19-,20+,21-,22-;3-/m00/s1
- Canonical SMILES
- CCOc1ccc(Cc2cc(C34OCC(CO)(O3)C(O)C(O)C4O)ccc2Cl)cc1.O=C1CCC(C(=O)O)N1
- Isomeric SMILES
- CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@@]34[C@@H]([C@H]([C@@H]([C@@](O3)(CO4)CO)O)O)O)Cl.C1CC(=O)N[C@@H]1C(=O)O
Synonyms
- Ertugliflozin L-pyroglutamic acid
- Ertugliflozin L-pyroglutamic Acid (1:1)
- (S)-5-oxopyrrolidine-2-carboxylic acid--(1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (1/1)
- Steglatro (TN)
- Ertugliflozin impurity 02
- ErtugliflozinL-pyroglutamicacid
- (2S)-5-oxopyrrolidine-2-carboxylic
- Steglujan component ertugliflozin pidolate
- Segluromet component ertugliflozin pidolate
- (1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (2S)-5-oxopyrrolidine-2-carboxylate
- (1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (S)-5-oxopyrrolidine-2-carboxylic acid
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 566.00 g/molcalc.Computed value |
|---|---|
| Exact mass | 565.1715 Dacalc.Computed value |
| LogP (octanol/water) | 0.71calc.Computed value |
| Topological polar surface area | 175 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 6calc.Computed value |
| Hydrogen bond acceptors | 9calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 39calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.48calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 6calc.Computed value |
| Components | 2calc.Computed value |
| Lipinski rule of five | Fails (2 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
- H314Causes severe skin burns and eye damage.
- H318Causes serious eye damage.
- H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (18)
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P317If swallowed: Get medical help.
- P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
- P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P316Get emergency medical help immediately.
- P317Get medical help.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P363Wash contaminated clothing before reuse.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidErtugliflozin pidolate suppliers
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- China, ShanghaiUnclaimed profileErtugliflozin L-pyroglutamic acidGrade, purity and minimum order on requestPrice on request
- China, Cangzhou ManufacturerUnclaimed profileErtugliflozin pidolateGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileErtugliflozin pidolateGrade, purity and minimum order on requestPrice on request
- India, Visakhapatnam ManufacturerUnclaimed profileErtugliflozin L-pyroglutamic acidGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileErtugliflozin L-pyroglutamic acidGrade, purity and minimum order on requestPrice on request
- India, Sangareddy ManufacturerUnclaimed profileErtugliflozin L-pyroglutamic acidGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profileErtugliflozin L-pyroglutamic acidGrade, purity and minimum order on requestPrice on request
- India, Navi Mumbai ManufacturerUnclaimed profileErtugliflozin L-pyroglutamic acidGrade, purity and minimum order on requestPrice on request
- India, Hyderabad ManufacturerUnclaimed profileErtugliflozin L-pyroglutamic acidGrade, purity and minimum order on requestPrice on request
- India, Hyderabad ManufacturerUnclaimed profileErtugliflozin L-pyroglutamic acidGrade, purity and minimum order on requestPrice on request
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Ertugliflozin pidolate price
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Uses and applications
What the substance is used for, by industry and function
Roles
- hypoglycemic agent
- pharmaceutical
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Ertugliflozin pidolate is traded under.
Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives
- United States22.3%
- India * partner reported7.8%
- Brazil5.5%
* Partner reported figures, a lower bound.
The HS code shown for Ertugliflozin pidolate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Ertugliflozin pidolate, based on the data on this page
What is Ertugliflozin pidolate?
What is the CAS number of Ertugliflozin pidolate?
What is the molecular formula and weight of Ertugliflozin pidolate?
What is Ertugliflozin pidolate used for?
Is Ertugliflozin pidolate hazardous?
What is the HS code of Ertugliflozin pidolate?
Where can I buy Ertugliflozin pidolate?
Where can I buy Ertugliflozin pidolate in India?
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Guides for buyers
Practical guides that help when you source, ship or handle Ertugliflozin pidolate
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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