Chemical identity

Decitabine related Compound B

CAS 1034301-08-0 · C22H18Cl2N4O6

01Identity

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

Lazychem IDLC-12099
PubChem CID284576
NameDecitabine related Compound B
CAS RN1034301-08-0
Molecular formulaC22H18Cl2N4O6
Molecular weight505.31
IUPAC name4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-β-D-erythropentofuranosyl]- 1,3,5-triazin-2(1H)-one ;
InChIKeyTWEZWUPSUOJPMB-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 284576
Two-dimensional chemical structure of Decitabine related Compound B, CAS 1034301-08-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres3
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1C(C(OC1N2C=NC(=NC2=O)N)COC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl
InChINot listed
Formula from structureC22H18Cl2N4O6
Molecular weight from structure505.31

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres3Structure unspecified
Assignment statusUnassignedExact 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.

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 FOUNDCAS 1034301-08-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1034301-08-0 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Decitabine

View associated product family

Other names

No synonyms are listed.

Related records from the same parent family

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