Basic information
- CAS
170791-09-0- Standard SMILES
CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1- InChIKey
MOHQWFWIPOOTGV-UHFFFAOYSA-N- Molecular formula
- C52H48N6O6
- Average molar mass
- 853 g/mol
- Monoisotopic mass
- 852.36353326
Names & identifiers
- Preferred name
- Trityl candesartan cilexetil
- IUPAC
- 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
- English name
- Trityl candesartan cilexetil
- Molecular formula
- C52H48N6O6
- Molecular weight
- 852.97
Names & synonyms
Trityl candesartan cilexetil170791-09-0UNII-006A6A2YSO006A6A2YSOCandesartan cilexetil impurity H [EP]Candesartan cilexetil specified impurity H [EP]EC 605-586-7(1RS)-1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-benzimidazole-7-carboxylate1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, 1-(((cyclohexyloxy)carbonyl)oxy)ethyl ester2-Ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl)methyl)-7-benzimidazolecarboxylic acid 1-(cyclohexyloxycarbonyloxy)ethyl esterCANDESARTAN CILEXETIL IMPURITY H [EP IMPURITY]1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester
Show more names
TritylCandesartan Cilexetil EP IMpurity H1-(((Cyclohexyloxy)Jikan cilexetil tritylCandesartan Impurity-H
Properties
Computed structural properties
- XLogP
- 11.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,410
Physicochemical properties
- Melting point
- 176 · 176-178°C (dec.)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Hot DMSO, Hot Methanol
- pka
- 3.95 · 3.95±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 6 A6A2YSO · 006A6A2YSO
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H228
- Precautionary statements
- 240 · P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 57.1% (4 of 7) of all reports.
Warning
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 03-12-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7058
Hazard Classes and CategoriesSkin Irrit. 2 (14.3%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H315-H319-H228
- REACH Registrations
- Active
- Precautionary statements
- P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesTrityl Candesartan Cilexetil (Candesartan Cilexetil EP Impurity H) is an impurity of Candesartan (C175575), an angiotensin II type-1 receptor antagonist and used in treatment of congestive heart failure.
Upstream & downstream products
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Related reactions
19 records
Compound notes
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