Chemical identity

Tetracycline EP Impurity A / 4-Epitetracycline / Lymecycline EP Impurity A

CAS 79-85-6 · C22H24N2O8

01Identity

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

Lazychem IDLC-29339
PubChem CID54682506
NameTetracycline EP Impurity A / 4-Epitetracycline / Lymecycline EP Impurity A
CAS RN79-85-6
Molecular formulaC22H24N2O8
Molecular weight444.43 g/mol
IUPAC name(4R,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
InChIKeyNWXMGUDVXFXRIG-PMXORCKASA-N

02Structure identifiers

2D structurePubChem CID 54682506
2D structure: Tetracycline EP Impurity A / 4-Epitetracycline / Lymecycline EP Impurity A, CAS 79-85-6
Structure of Tetracycline EP Impurity A / 4-Epitetracycline / Lymecycline EP Impurity A (CAS 79-85-6). LazyChem record. Source identity: PubChem CID 54682506. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC22H24N2O8
InChIKeyNWXMGUDVXFXRIG-PMXORCKASA-N
Ring count4
Defined stereocentres5
Unassigned stereocentres0
SMILESC[C@@]1([C@H]2C[C@H]3[C@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O
InChIInChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15+,21+,22-/m0/s1

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres52D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

3 records

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.

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 Tetracycline EP Impurity A / 4-Epitetracycline / Lymecycline EP Impurity A, CAS 79-85-6
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 79-85-6 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 79-85-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Lymecycline; Chlortetracycline; Tetracycline

View API and impurity family

Other names

  • Lymecycline EP Impurity A / Chlortetracycline EP Impurity D / Tetracycline EP Impurity A /4-Epitetracycline
  • Lymecycline EP Impurity A
  • Chlortetracycline EP Impurity D / Tetracycline EP Impurity D /4-Epitetracycline
  • Tetracycline Impurity A
  • Epitetracycline
  • 4-Epitetracycline
  • Quatrimycin
  • (4R,4AS,5AS,6S,12AS)-4-(DIMETHYLAMINO)-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
  • (4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

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