Chemical identity

Doxorubicin-13C,d3

CAS not listed · C27H29NO11

01Identity

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

Lazychem IDLC-37512
PubChem CID76973088
NameDoxorubicin-13C,d3
CAS RNNot listed
Molecular formulaC27H29NO11
Molecular weight547.5 g/mol
IUPAC name(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-(trideuterio(113C)methoxy)-8,10-dihydro-7H-tetracene-5,12-dione
InChIKeyAOJJSUZBOXZQNB-PQNRZSIZSA-N

02Structure identifiers

2D structurePubChem CID 76973088
Two-dimensional chemical structure of Doxorubicin-13C,d3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Unassigned stereocentres0
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILES[2H][13C]([2H])([2H])OC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(C(=O)CO)O)C(=C3C2=O)O)O
InChINot listed
Formula from structureC27H29NO11
Molecular weight from structure547.5 g/mol

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

4 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.

04India 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 / RCSNO EXACT MATCH FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

No synonyms are listed.

Related records from the same parent family

No related records are linked by parent name.

06Documented 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.

07Sources