Valsartan, D-
Basic information
- CAS
137862-87-4- Standard SMILES
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@@H](C(=O)O)C(C)C- InChIKey
ACWBQPMHZXGDFX-JOCHJYFZSA-N- Molecular formula
- C24H29N5O3
- Average molar mass
- 435.5 g/mol
- Monoisotopic mass
- 435.2270398
Names & identifiers
- Preferred name
- Valsartan, D-
- IUPAC
- (2R)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
- English name
- Valsartan Related Compound A
- Molecular formula
- C24H29N5O3
- Molecular weight
- 435.52
Names & synonyms
137862-87-4D-ValsartanValsartan, D-CGP-49309UNII-IDC67444MIIDC67444MIValsartan specified impurity A [EP]Valsartan specified impurity AD-Valine, N-(1-oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-(2R)-3-Methyl-2-(pentanoyl((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)amino)butanoic acidD-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-VALSARTAN IMPURITY A (EP IMPURITY)
Show more names
CGP 49309R-Valsartanpentanamido)Valsartan USP RC AValsartan Impurity A-[1,1'-biphenyl]-4-yl)
VALSARTAN IMPURITY A [EP IMPURITY]RefChem:203432(R)-2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acident-ValsartanValsartan EP impurity AValsartan USP Related Compound AValsartan R-enantiomerMFCD18252868
Database identifiers
- CAS
137862-87-4- PubChem CID
- 5284633
- ChEMBL
CHEMBL115622- UNII
- IDC67444MI
- EC Number
- 810-430-8
- Nikkaji
- J788.652G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 608
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antihypertensive drugs
Physicochemical properties
- Melting point
- 108 · 108-110°C
- Boiling point
- 684.9 · 684.9±65.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 3.56 · 3.56±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- ACWBQPMHZXGDFX-JOCHJYFZSA-N
- SMILES
- CCCCC(=O)N(Cc1ccc(cc1)-c2ccccc2-c3nnn[nH]3)[C@H](C(C)C)C(O)=O
- FDA UNII
- 67444 MI · IDC67444MI
- UNSPSC Code
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
Danger
H336 (50%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
P203, P261, P271, P280, P304+P340, P318, P319, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSTOT SE 3 (50%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933997500
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- target organs
- Central nervous system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Repr. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Pharmacology
ATC CodeC09CA03
Applications
Usesent-Valsartan is the (R)-enantiomer of Valsartan
Usesent-Valsartan (Valsartan USP Related Compound A) is the (R)-enantiomer of Valsartan (V095750).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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