Chemical identity

N-Methyl-N-[(betaR)-beta,3-dihydroxyphenethyl]-3-hydroxysuccinamidic acid

CAS 830346-80-0 · C13H17NO6

01Identity

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

Lazychem IDLC-25144
PubChem CID101425401
NameN-Methyl-N-[(betaR)-beta,3-dihydroxyphenethyl]-3-hydroxysuccinamidic acid
CAS RN830346-80-0
Molecular formulaC13H17NO6
Molecular weight283.28 g/mol
IUPAC name3-hydroxy-4-(((R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl)(methyl)amino)-4-oxobutanoic acid
InChIKeyIWWBJYCPXCCBTF-DTIOYNMSSA-N

02Structure identifiers

2D structurePubChem CID 101425401
Two-dimensional chemical structure of N-Methyl-N-[(betaR)-beta,3-dihydroxyphenethyl]-3-hydroxysuccinamidic acid, CAS 830346-80-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCN(C[C@@H](C1=CC(=CC=C1)O)O)C(=O)C(CC(=O)O)O
InChINot listed
Formula from structureC13H17NO6
Molecular weight from structure283.28 g/mol

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact 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 830346-80-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 830346-80-0 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

Phenylephrine

View API and impurity family

Other names

  • Phenylephrine Impurity 31 (Mixture of Diastereomers)
  • N-Methyl-N-[(betaR)-beta,3-dihydroxyphenethyl]-3-hydroxysuccinamidic acid
  • 830346-80-0
  • 3-Hydroxy-4-(((R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl)(methyl)amino)-4-oxobutanoic acid
  • 3-hydroxy-4-[[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylamino]-4-oxobutanoic acid
  • Phenylephrine Impurity 21
  • starbld0020702

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