Chemical identity

Iohexol EP Impurity H (4,6-diiodo Isomer) (Mixture of Diastereomers)

CAS 1651211-79-8 · C19H27I2N3O9

01Identity

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

Lazychem IDLC-17313
PubChem CID58121365
NameIohexol EP Impurity H (4,6-diiodo Isomer) (Mixture of Diastereomers)
CAS RN1651211-79-8
Molecular formulaC19H27I2N3O9
Molecular weight695.25 g/mol
IUPAC nameN1,N3-bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-4,6-diiodoisophthalamide
InChIKeyZFTHNFQUSZZSQN-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 58121365
2D structure: Iohexol EP Impurity H (4,6-diiodo Isomer) (Mixture of Diastereomers), CAS 1651211-79-8
Structure of Iohexol EP Impurity H (4,6-diiodo Isomer) (Mixture of Diastereomers) (CAS 1651211-79-8). LazyChem record. Source identity: PubChem CID 58121365. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC19H27I2N3O9
InChIKeyZFTHNFQUSZZSQN-UHFFFAOYSA-N
Ring count1
Defined stereocentres0
Unassigned stereocentres3
SMILESCC(=O)N(CC(CO)O)C1=C(C(=CC(=C1I)C(=O)NCC(CO)O)C(=O)NCC(CO)O)I
InChIInChI=1S/C19H27I2N3O9/c1-9(28)24(5-12(31)8-27)17-15(20)13(18(32)22-3-10(29)6-25)2-14(16(17)21)19(33)23-4-11(30)7-26/h2,10-12,25-27,29-31H,3-8H2,1H3,(H,22,32)(H,23,33)

03Stereochemistry

The published structure contains 0 defined and 3 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres32D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 8Before 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1651211-79-8 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1651211-79-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Iohexol

View API and impurity family

Other names

  • Iohexol EP Impurity H
  • 5-(ACETYL(2,3-DIHYDROXYPROPYL)AMINO)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-4,6-DIIODOBENZENE-1,3-DICARBOXAMIDE

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