Chemical identity

Levomefolic Acid

CAS 31690-09-2 · C20H25N7O6

01Identity

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

Lazychem IDLC-101048
PubChem CID135398561
NameLevomefolic Acid
CAS RN31690-09-2
Molecular formulaC20H25N7O6
Molecular weight459.5 g/mol
IUPAC name(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
InChIKeyZNOVTXRBGFNYRX-STQMWFEESA-N

02Structure identifiers

2D structurePubChem CID 135398561
Two-dimensional chemical structure of Levomefolic Acid, CAS 31690-09-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count3
Secondary amines2
Tertiary amines1
N-methyl amine sites1
SMILESCN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChINot listed
Formula from structureC20H25N7O6
Molecular weight from structure459.5 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

4 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 site3 candidates
Chemical structure of Levomefolic Acid 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 Levomefolic Acid, 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
C20H24N8O7
Candidate SMILES
CN1c2c(nc(N)[nH]c2=O)N(N=O)C[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C20H24N8O7
Candidate SMILES
CN1c2c(nc(N)[nH]c2=O)NC[C@@H]1CN(N=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
Candidate 3Possible N-nitroso structural candidate
Calculated formula
C19H22N8O7
Candidate SMILES
Nc1nc2c(c(=O)[nH]1)N(N=O)[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2

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 31690-09-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 31690-09-2 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

No parent compound is listed.

Other names

  • Levomefolic acid
  • 31690-09-2
  • Levomefolinic acid
  • LMSR
  • L-methylfolate
  • Nutrifolin
  • L-5-MTHF
  • Acido levomefolico
  • 5-methyl-(6s)-tetrahydrofolic acid
  • Acide levomefolique
  • 8S95DH25XC
  • (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid

Related records from the same parent family

No related records are linked by parent name.

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