Chemical identity

5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide acid

CAS 111453-32-8 · C11H11I3N2O5

01Identity

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

Lazychem IDLC-17350
PubChem CID11828334
Name5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide acid
CAS RN111453-32-8
Molecular formulaC11H11I3N2O5
Molecular weight631.93 g/mol
IUPAC name3-amino-5-((2,3-dihydroxypropyl)carbamoyl)-2,4,6-triiodobenzoic acid
InChIKeyURFBLIYCWAORDM-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 11828334
Two-dimensional chemical structure of 5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide acid, CAS 111453-32-8
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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC(C(CO)O)NC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I
InChINot listed
Formula from structureC11H11I3N2O5
Molecular weight from structure631.93 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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 111453-32-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 111453-32-8 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

Iopromide

View API and impurity family

Other names

  • Iopromide Impurity 1
  • 5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide acid
  • Benzoic Acid, 3-Amino-5-[[(2,3-Dihydroxypropyl)Amino]Carbonyl]-2,4,6-Triiodo-
  • RAC-5-amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamic acid
  • 3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid
  • RefChem:874426
  • 601-093-6
  • 111453-32-8
  • 3-amino-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodobenzoic acid
  • Iopromide Impurity 9
  • URFBLIYCWAORDM-UHFFFAOYSA-N
  • Iohexol Impurity 21

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