Citalopram API | 59729-33-8

01API identity and structure

2D structure: Citalopram, CAS 59729-33-8 — Structure of Citalopram (CAS 59729-33-8). LazyChem record. Source identity: PubChem CID 2771. Confirm the identifiers before analytical use.Download structure image

API / medicine name	Citalopram
CAS RN	59729-33-8
PubChem CID	2771
Molecular formula	C20H21FN2O
Molecular weight	324.4 g/mol
IUPAC name	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
Defined stereocentres	0
Unassigned stereocentres	1

SMILES	CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
InChI	Not listed
InChIKey	WSEQXVZVJXJVFP-UHFFFAOYSA-N

02Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure

Unassigned stereocentres12D structure

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 2Before 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.

Citalopram

CAS 59729-33-8

WSEQXVZVJXJVFP-UHFFFAOYSA-N

Current configuration

Escitalopram EP Impurity K (Free Base)

CAS 128196-02-1

WSEQXVZVJXJVFP-HXUWFJFHSA-N

1 defined, 0 unassigned centres

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 59729-33-8 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 Citalopram. 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.

2D structure: 1-(4-Dimethylamino) Oxobutyl Citadiol, CAS 1433278-32-0

Citalopram EP Impurity D / EsCitalopram EP Impurity D / Citalopram Related Compound D / N-Desmethyl Citalopram (HCl salt)

97743-99-2

2D structure: Citalopram EP Impurity E, CAS 1332724-08-9

Escitalopram EP Impurity B / Citalopram EP Impurity B / Citalopram related compound B / 3-Hydroxy Citalopram (Oxalate Salt)

1332724-03-4

2D structure: EsCitalopram EP Impurity H / Citalopram Related Compound E / Citalopram N-Oxide (HCl salt), CAS 62498-71-9

06Sources

S01
PubChem compound record, CID 2771
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.