Chemical identity

Desmethyl Micafungin/ Micafungin Impurity B (Na Salt)

CAS 1392514-03-2 · C55H68N9NaO23S

01Identity

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

Lazychem IDLC-12444
PubChem CID138617700
NameDesmethyl Micafungin/ Micafungin Impurity B (Na Salt)
CAS RN1392514-03-2
Molecular formulaC55H68N9NaO23S
Molecular weight1278.23 g/mol
IUPAC nameSodium 5-[(1S,2S)-2-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(R)-3-amino-1-hydroxy-3-oxopropyl]-2,11,12,15-tetrahydroxy-6-[(R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxo-9-(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzamido)tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl}-1,2-dihydroxyethyl]-2-hydroxyphenyl sulfate
InChIKeyQOUYMHYNKRNKKM-REOTUNPJSA-M

02Structure identifiers

2D structurePubChem CID 138617700
Two-dimensional chemical structure of Desmethyl Micafungin/ Micafungin Impurity B (Na Salt), CAS 1392514-03-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 rings, includes aromatic atoms, includes aliphatic carbon, has 14 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres14
Unassigned stereocentres0
Ring count7
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H](CCN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC(=C(C=C7)O)OS(=O)(=O)[O-])O)O)[C@@H](CC(=O)N)O)O)O)O.[Na+]
InChINot listed
Formula from structureC55H68N9NaO23S
Molecular weight from structure1278.23 g/mol

03Stereochemistry

The published structure contains 14 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres14Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16,384Before 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 1392514-03-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1392514-03-2 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

Micafungin

View API and impurity family

Other names

  • Desmethyl Micafungin (Na Salt)
  • Micafungin Impurity B (Na Salt)

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