Chemical identity

Acarbose EP Impurity E

CAS 1220983-28-7 · C31H53NO23

01Identity

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

Lazychem IDLC-04599
PubChem CID131869440
NameAcarbose EP Impurity E
CAS RN1220983-28-7
Molecular formulaC31H53NO23
Molecular weight807.7 g/mol
IUPAC nameO-4,6-Dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-enyl]amino]-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-D-arabino-hex-2-ulopyranose
InChIKeyMEPXIUXMJVDQJW-AXJUGWJOSA-N

02Structure identifiers

2D structurePubChem CID 131869440
2D structure: Acarbose EP Impurity E, CAS 1220983-28-7
Structure of Acarbose EP Impurity E (CAS 1220983-28-7). LazyChem record. Source identity: PubChem CID 131869440. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC31H53NO23
InChIKeyMEPXIUXMJVDQJW-AXJUGWJOSA-N
Ring count4
Defined stereocentres22
Unassigned stereocentres0
SMILESC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@H]([C@@H](CO)O)[C@@H](C(=O)CO)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO
InChIInChI=1S/C31H53NO23/c1-8-15(32-10-2-9(3-33)16(40)20(44)17(10)41)19(43)23(47)29(50-8)54-27-13(6-36)52-31(25(49)22(27)46)55-28-14(7-37)51-30(24(48)21(28)45)53-26(12(39)5-35)18(42)11(38)4-34/h2,8,10,12-37,39-49H,3-7H2,1H3/t8-,10+,12-,13-,14-,15-,16-,17+,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-/m1/s1

03Stereochemistry

The published structure contains 22 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres222D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound2^22Before 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.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Acarbose EP Impurity E, CAS 1220983-28-7
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1220983-28-7 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1220983-28-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Acarbose

View API and impurity family

Other names

  • (3S,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-one
  • Acarbose Impurity E
  • Acarbose impurity E [EP]
  • Acarbose impurity E [USP]
  • UNII-R59T36P3BA
  • O-4,6-dideoxy-4-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-alpha-D-glucopyranosyl-(1->4)-o-alpha-D-glucopyranosyl-(1->4)-o-alpha-D-glucopyranosyl-(1->4)-D-fructose
  • ACARBOSE IMPURITY E [EP IMPURITY]
  • ACARBOSE IMPURITY E [USP IMPURITY]
  • (2R,4R,5R,6R)-4-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(((1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydrox
  • O-4,6-DIDEOXY-4-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-ENYL)AMINO)-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-D-ARABINO-HEX-2-ULOPYRANOSE (4-O-.ALPHA.-ACARBOSYL-D-FRUCTOPYRANOSE)

Related records from the same parent family

07Documented 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.

08Sources