Chemical identity

Nelfinavir Sulfoxide /Nelfinavir Related Compound A

CAS 1041389-28-9 · C32H45N3O5S

01Identity

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

Lazychem IDLC-23221
PubChem CID71750982
NameNelfinavir Sulfoxide /Nelfinavir Related Compound A
CAS RN1041389-28-9
Molecular formulaC32H45N3O5S
Molecular weight583.79 g/mol
IUPAC name(3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-3-isoquinolinecarboxamide
InChIKeyRSOLVRGGAAUFHC-VSAYVLMCSA-N

02Structure identifiers

2D structurePubChem CID 71750982
Two-dimensional chemical structure of Nelfinavir Sulfoxide /Nelfinavir Related Compound A, CAS 1041389-28-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres5
Unassigned stereocentres1
Ring count4
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCC1=C(C=CC=C1O)C(=O)N[C@@H](CS(=O)C2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O
InChINot listed
Formula from structureC32H45N3O5S
Molecular weight from structure583.79 g/mol

03Stereochemistry

The published structure contains 5 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 64Before 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 1041389-28-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1041389-28-9 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

Nelfinavir

View API and impurity family

Other names

  • Nelfinavir Sulfoxide
  • Nelfinavir Related Compound A

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