Chemical identity

Lymecycline EP Impurity C / Tetracycline Anhydro

CAS 1665-56-1 · C22H22N2O7

01Identity

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

Lazychem IDLC-19388
PubChem CID54675758
NameLymecycline EP Impurity C / Tetracycline Anhydro
CAS RN1665-56-1
Molecular formulaC22H22N2O7
Molecular weight426.42 g/mol
IUPAC name(4S,4aS,12aS)-4-(Dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
InChIKeyKTTKGQINVKPHLY-DOCRCCHOSA-N

02Structure identifiers

2D structurePubChem CID 54675758
2D structure: Lymecycline EP Impurity C / Tetracycline Anhydro, CAS 1665-56-1
Structure of Lymecycline EP Impurity C / Tetracycline Anhydro (CAS 1665-56-1). LazyChem record. Source identity: PubChem CID 54675758. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC22H22N2O7
InChIKeyKTTKGQINVKPHLY-DOCRCCHOSA-N
Ring count4
Defined stereocentres3
Unassigned stereocentres0
SMILESCC1=C2C=CC=C(C2=C(C3=C1C[C@H]4[C@@H](C(=O)C(=C([C@]4(C3=O)O)O)C(=O)N)N(C)C)O)O
InChIInChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-26,29,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres32D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

2 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 Lymecycline EP Impurity C / Tetracycline Anhydro, CAS 1665-56-1
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 1665-56-1 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 1665-56-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Tetracycline; Lymecycline

View API and impurity family

Other names

  • Lymecycline EP Impurity C
  • Anhydrotetracycline
  • 5a,6-Anhydrotetracycline
  • (4S)-Anhydrotetracycline
  • (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
  • (4S,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
  • (4S,4AS,12AS)-4-(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,11,12A-HEXAHYDROTETRACENE-2-CARBOXAMIDE
  • Tetracycline, anhydro-
  • (2Z,4S,4aS,12aS)-2-(amino-hydroxy-methylidene)-4-dimethylamino-10,11,1 2a-trihydroxy-6-methyl-4a,5-dihydro-4H-tetracene-1,3,12-trione
  • anhydrotetracyclin

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