Chemical identity

Valnemulin EP Impurity B (Free Base)

CAS 133787-61-8 · C26H43NO4S

01Identity

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

Lazychem IDLC-32581
PubChem CID60195129
NameValnemulin EP Impurity B (Free Base)
CAS RN133787-61-8
Molecular formulaC26H43NO4S
Molecular weight465.69 g/mol
IUPAC name(3aS, 4R, 5S, 6S, 8S, 9R, 9aR, 10R)-6-ethenyl-5-hydroxy-4, 6, 9, 10-tetramethyl-1-oxodecahydro-3a, 9-propano-3aH-cyclopenta[8]annulen-8-yl [(2-amino-1, 1-dimethylethyl)sulfanyl]acectate
InChIKeySFHAPCGDMNOXSA-ZHLRGWEPSA-N

02Structure identifiers

2D structurePubChem CID 60195129
Two-dimensional chemical structure of Valnemulin EP Impurity B (Free Base), CAS 133787-61-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres8
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC(C)(C)CN)C
InChINot listed
Formula from structureC26H43NO4S
Molecular weight from structure465.69 g/mol

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before 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 133787-61-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 133787-61-8 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

Valnemulin

View API and impurity family

Other names

  • Dimethyl Cysteaminyl Pleuromulin

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