Identitet

635KF5P2JS

CAS 906126-31-6 · C37H67ClN2O6S

01Identitet

Lazychem IDLC-11086
CAS RN906126-31-6
PubChem CID156614157
Molecular formulaC37H67ClN2O6S
Molecular weight703.46 g/mol
IUPAC name(3aS,4R,6R,7R,7aS)-4-((1S,2S)-2-chloro-1-((2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamido)propyl)-2,2-dimethyl-6-(methylthio)tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-yl palmitate
InChIKeyWIDBPDXZLVYOBO-AKVWGGOBSA-N

02Struktur og stereokemi

2D structurePubChem CID 156614157
Two-dimensional chemical structure of 635KF5P2JS, CAS 906126-31-6
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 9 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres9
Ring count3
Secondary amines0
Tertiary amines1
SMILESCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](O[C@@H]1SC)[C@@H]([C@H](C)Cl)NC(=O)[C@@H]3C[C@H](CN3C)CCC)OC(O2)(C)C
InChIIkke angivet

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before 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.

04Status i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Navne og relationer

API og moderlægemiddel

Clindamycin

Urenheder og beslægtede forbindelser

Navne og relationer

  • Clindamycin Impurity 9
  • 635KF5P2JS
  • 906126-31-6
  • UNII-635KF5P2JS
  • Acetonide Clindamycin Palmitate
  • L-Threo-alpha-D-galacto-octopyranoside, methyl 7-chloro-6,7,8-trideoxy-3,4-O-(1-methylethylidene)-6-((((2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, 2-hexadecanoate
  • Clindamycin Impurity 51
  • (3aS,4R,6R,7R,7aS)-4-((1S,2S)-2-chloro-1-((2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxamido)propyl)-2,2-dimethyl-6-(methylthio)tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl palmitate

Urenheder og beslægtede forbindelser

06Kilder