Chemical identity

87THU8VQU6

CAS 98903-90-3 · C29H41NO8

01Identity

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

Lazychem IDLC-14429
PubChem CID139592807
Name87THU8VQU6
CAS RN98903-90-3
Molecular formulaC29H41NO8
Molecular weight531.65 g/mol
IUPAC namedimethyl 3,3'-((((isopropylazanediyl)bis(2-hydroxypropane-3,1-diyl))bis(oxy))bis(4,1-phenylene))dipropanoate
InChIKeyZPHQCQDKITXUPP-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 139592807
Two-dimensional chemical structure of 87THU8VQU6, CAS 98903-90-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres0
Unassigned stereocentres2
Ring count2
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCC(C)N(CC(COC1=CC=C(C=C1)CCC(=O)OC)O)CC(COC2=CC=C(C=C2)CCC(=O)OC)O
InChINot listed
Formula from structureC29H41NO8
Molecular weight from structure531.65 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 98903-90-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 98903-90-3 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

Esmolol

View API and impurity family

Other names

  • Esmolol Impurity 2
  • Benzenepropanoic acid, 4,4'-[[(1-methylethyl)imino]bis[(2-hydroxy-3,1-propanediyl)oxy]]bis-, dimethyl ester
  • 98903-90-3
  • 87THU8VQU6
  • Dimethyl 3,3'-((((isopropylazanediyl)bis(2-hydroxypropane-3,1-diyl))bis(oxy))bis(4,1-phenylene))dipropionate
  • methyl 3-{4-[2-hydroxy-3-({2-hydroxy-3-[4-(3-methoxy-3-oxopropyl)phenoxy]propyl}(propan-2-yl)amino)propoxy]phenyl}propanoate
  • UNII-87THU8VQU6
  • C29H41NO8
  • MFCD32206579
  • AKOS037647815
  • AS-74892
  • dimethyl 3,3'-((((isopropylazanediyl)bis(2-hydroxypropane-3,1-diyl))bis(oxy))bis(4,1-phenylene))dipropanoate

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