Chemical identity

Mycophenolic Acid Impurity 3

CAS 2390035-84-2 · C17H20O7

01Identity

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

Lazychem IDLC-20764
PubChem CID177828475
NameMycophenolic Acid Impurity 3
CAS RN2390035-84-2
Molecular formulaC17H20O7
Molecular weight336.34 g/mol
IUPAC name3-(3-((4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)methyl)-2-methyloxiran-2-yl)propanoic acid
InChIKeyBAMWAQGTOOEQAF-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 177828475
Two-dimensional chemical structure of Mycophenolic Acid Impurity 3, CAS 2390035-84-2
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres2
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C2COC(=O)C2=C(C(=C1OC)CC3C(O3)(C)CCC(=O)O)O
InChINot listed
Formula from structureC17H20O7
Molecular weight from structure336.34 g/mol

03Stereochemistry

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

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

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

04India 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 2390035-84-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2390035-84-2 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.

05Names and relationships

Associated parent compound

Mycophenolic Acid

View associated product family

Other names

  • 3-(3-((4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)methyl)-2-methyloxiran-2-yl)propanoic acid
  • 2390035-84-2

Related records from the same parent family

06Documented 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.

07Sources