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Chemical substance record

Carisoprodol

78-44-4C12H24N2O4260.334 g/mol

A carbamate ester that is the mono-N-isopropyl derivative of meprobamate (which is a significant metabolite). Carisoprodol interrupts neuronal communication within the reticular formation and spinal cord, resulting in sedation and alteration in pain perception. It is used as a muscle relaxant in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number78-44-4ChEBI ↗
Molecular formulaC12H24N2O4ChEBI ↗
Molar mass260.334 g/molChEBI ↗
Monoisotopic mass260.17361 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:3419ChEBI ↗

Cross-source molecular data

PubChem
Molar mass260.33 g/molPubChem ↗
Exact mass260.17360725 DaPubChem ↗
Computed XLogP1.9PubChem ↗
Topological polar surface area (Ų)90.7PubChem ↗
H-bond donors2PubChem ↗
H-bond acceptors4PubChem ↗
Rotatable bonds9PubChem ↗

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

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carisoprodol
2-[(carbamoyloxy)methyl]-2-methylpentyl propan-2-ylcarbamate
OFZCIYFFPZCNJE-UHFFFAOYSA-N
CCCC(C)(COC(N)=O)COC(=O)NC(C)C
InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)

Names & synonyms

2-[(carbamoyloxy)methyl]-2-methylpentyl propan-2-ylcarbamatecarisoprodolum

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

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

analgesicmuscle relaxantantispasmodic drug

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
0.00384122 mol

Uses 260.334 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 · 12 atoms
55.36%
O
Oxygen · 4 atoms
24.58%
N
Nitrogen · 2 atoms
10.76%
H
Hydrogen · 24 atoms
9.29%

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
Identification and prediction of promiscuous aggregating inhibitors among known drugs. ↗Journal of medicinal chemistry · 2003 Oct 9 · PMID 14521410
US2937119 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:3419

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

NCBI PubChem · CID 2576 · 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.