Chemical identity

Amlodipine N Lactoside (R Isomer)

CAS 749864-27-5 · C32H45ClN2O15

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-06102
PubChem CID101839389
NameAmlodipine N Lactoside (R Isomer)
CAS RN749864-27-5
Molecular formulaC32H45ClN2O15
Molecular weight733.16 g/mol
IUPAC name3-ethyl 5-methyl 4-(2-chlorophenyl)-2-((2-(((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)amino)ethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
InChIKeyPVUFUYMVELLVFD-KRCQYSFASA-N

02Structure identifiers

2D structurePubChem CID 101839389
Two-dimensional chemical structure of Amlodipine N Lactoside (R Isomer), CAS 749864-27-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 10 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres10
Unassigned stereocentres1
Ring count4
Secondary amines2
Tertiary amines0
N-methyl amine sites0
SMILESCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O
InChINot listed
Formula from structureC32H45ClN2O15
Molecular weight from structure733.16 g/mol

03Stereochemistry

The published structure contains 10 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres10Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 2,048Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site2 candidates
Chemical structure of Amlodipine N Lactoside (R Isomer) with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Amlodipine N Lactoside (R Isomer), with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C32H44ClN3O16
Candidate SMILES
CCOC(=O)C1=C(COCCN[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)N(N=O)C(C)=C(C(=O)OC)C1c1ccccc1Cl
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C32H44ClN3O16
Candidate SMILES
CCOC(=O)C1=C(COCCN(N=O)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)NC(C)=C(C(=O)OC)C1c1ccccc1Cl

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

05India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 749864-27-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 749864-27-5 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

06Names and relationships

Associated parent compound

Amlodipine

View API and impurity family

Other names

No synonyms are listed.

Related records from the same parent family

07Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

08Sources