Chemical identity

O-Desmethyl Noscapine / 7-O-Demethyl Alpha-Narcotine

CAS 68353-55-9 · C21H21NO7

01Identity

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

Lazychem IDLC-23832
PubChem CID11372950
NameO-Desmethyl Noscapine / 7-O-Demethyl Alpha-Narcotine
CAS RN68353-55-9
Molecular formulaC21H21NO7
Molecular weight399.39 g/mol
IUPAC name(3S)-7-Hydroxy-6-methoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone
InChIKeyICGJAAVPMLXDHF-AEFFLSMTSA-N

02Structure identifiers

2D structurePubChem CID 11372950
2D structure: O-Desmethyl Noscapine / 7-O-Demethyl Alpha-Narcotine, CAS 68353-55-9
Structure of O-Desmethyl Noscapine / 7-O-Demethyl Alpha-Narcotine (CAS 68353-55-9). LazyChem record. Source identity: PubChem CID 11372950. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H21NO7
InChIKeyICGJAAVPMLXDHF-AEFFLSMTSA-N
Ring count5
Defined stereocentres2
Unassigned stereocentres0
SMILESCN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)O)C(=O)O4)OC)OCO3
InChIInChI=1S/C21H21NO7/c1-22-7-6-10-8-13-19(28-9-27-13)20(26-3)14(10)16(22)18-11-4-5-12(25-2)17(23)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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 O-Desmethyl Noscapine / 7-O-Demethyl Alpha-Narcotine, CAS 68353-55-9
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 68353-55-9 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 68353-55-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Noscapine

View API and impurity family

Other names

  • O-Desmethyl Noscapine
  • 7-O-Demethyl Alpha-Narcotine
  • 7-O-Demethyl a-Narcotine
  • (3S)-7-hydroxy-6-methoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
  • ICGJAAVPMLXDHF-AEFFLSMTSA-N
  • [S-(R*,S*)]-7-hydroxy-6-methoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-1(3H)-isobenzofuranone
  • 7-Hydroxy-alpha-narcotine
  • Noscapine Impurity 1

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