Ergotamine Tartrate API

01API identity and structure

2D structure: Ergotamine Tartrate, CAS 379-79-3 — Structure of Ergotamine Tartrate (CAS 379-79-3). LazyChem record. Source identity: PubChem CID 9787. Confirm the identifiers before analytical use.Download structure image

API / medicine name	Ergotamine Tartrate
CAS RN	379-79-3
PubChem CID	9787
Molecular formula	C70H76N10O16
Molecular weight	1313.4 g/mol
IUPAC name	bis((6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide);(2R,3R)-2,3-dihydroxybutanedioic acid
Defined stereocentres	14
Unassigned stereocentres	0

SMILES	C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI	Not listed
InChIKey	CJMJLDQKTOJACI-BGQAIRJTSA-N

02Stereochemistry

The published structure contains 14 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres142D structure

Unassigned stereocentres02D structure

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 16,384Before 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.

Ergotamine Tartrate

CAS 379-79-3

CJMJLDQKTOJACI-BGQAIRJTSA-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 379-79-3 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 Ergotamine Tartrate. 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 9787
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.