Valrubicin API | 56124-62-0

01API identity and structure

2D structure: Valrubicin, CAS 56124-62-0 — Structure of Valrubicin (CAS 56124-62-0). LazyChem record. Source identity: PubChem CID 454216. Confirm the identifiers before analytical use.Download structure image

API / medicine name	Valrubicin
CAS RN	56124-62-0
PubChem CID	454216
Molecular formula	C34H36F3NO13
Molecular weight	723.6 g/mol
IUPAC name	[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate
Defined stereocentres	6
Unassigned stereocentres	0

SMILES	CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O
InChI	Not listed
InChIKey	ZOCKGBMQLCSHFP-KQRAQHLDSA-N

02Stereochemistry

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

Defined stereocentres62D structure

Unassigned stereocentres02D structure

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 64Before 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.

Valrubicin

CAS 56124-62-0

ZOCKGBMQLCSHFP-KQRAQHLDSA-N

Current configuration

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.

03Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

04India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCS	NOT FOUND IN REVIEWED ENTRIES	No exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMET	NOT FOUND IN REVIEWED CAS ENTRIES	CAS 56124-62-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · source version 1985-09-16
Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · source version 2026-03-11
Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · source version 2024-09-02

Records whose supplied identity data explicitly associates them with Valrubicin. Each link opens the exact chemical identity page. A PubChem impurity label is not treated as an official pharmacopoeial designation unless an exact reviewed source states it.

No separate impurity or related-compound record is linked to this exact API identity.

06Sources

S01
PubChem compound record, CID 454216
Structure, identifiers and machine-readable properties for the API identity.
S02
NCBI website and molecular data policies
Reuse policy for NCBI molecular data. Vendor descriptions and contributed narrative text are not reproduced.
S03
Lazychem chemical records
Parent-family links use the supplied parent identity.