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Chemical substance record

Ro 5-3335

30195-30-3C13H10ClN3O259.696 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A 1,4-benzodiazepinone that is nordazepam in which the phenyl substituent has been replaced by a 1H-pyrrol-2-yl group. It inhibits gene expression in HIV-1 at the transcriptional level through interference with Tat-mediated transactivation. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values
CAS number30195-30-3ChEBI ↗
Molecular formulaC13H10ClN3OChEBI ↗
Molar mass259.696 g/molChEBI ↗
Monoisotopic mass259.05124 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:131785ChEBI ↗

Cross-source molecular data

PubChem
Molar mass259.69 g/molPubChem ↗
Exact mass259.0512396 DaPubChem ↗
Computed XLogP1.5PubChem ↗
Topological polar surface area (Ų)57.3PubChem ↗
H-bond donors2PubChem ↗
H-bond acceptors2PubChem ↗
Rotatable bonds1PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
Ro 5-3335
7-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
XWNMORIHKRROGW-UHFFFAOYSA-N
O=C1CN=C(c2cccn2)c2cc(Cl)ccc2N1
InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)

Names & synonyms

7-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
pyrrolesChEBI parent class · 26455 ↗1,4-benzodiazepinoneChEBI parent class · 35500 ↗organochlorine compoundChEBI parent class · 36683 ↗
organochlorine compoundorganic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

RUNX1 inhibitorHIV-1 Tat inhibitorantineoplastic agentanti-HIV-1 agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00385066 mol

Uses 259.696 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 13 atoms
60.13%
N
Nitrogen · 3 atoms
16.18%
Cl
Chlorine · 1 atom
13.65%
O
Oxygen · 1 atom
6.16%
H
Hydrogen · 10 atoms
3.88%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Cell type-specific anti-human immunodeficiency virus type 1 activity of the transactivation inhibitor Ro5-3335. ↗Antimicrobial agents and chemotherapy · 1992 Dec · PMID 1282790
Disposition of the human immunodeficiency virus Tat inhibitor, Ro 5-3335, in rats and dogs. ↗Drug metabolism and disposition: the biological fate of chemicals · 1992 Nov-Dec · PMID 1362952
DE2017060 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:131785

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 64983 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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