Isatidine

chemical compound

ChemicalSubstance group_of_stereoisomers Q27106956

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Isatidine

Summary

Isatidine is a group of stereoisomers^[1].

Key Facts

Isatidine's instance of is recorded as group of stereoisomers^[2].
Isatidine's canonical SMILES is recorded as CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C^[3].
Isatidine's chemical formula is recorded as C₁₈H₂₅NO₇^[4].
Isatidine is a type of (1R,4Z,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione^[5].
Isatidine's isomeric SMILES is recorded as C/C=C\1/CC@HC^C@HC">[6].
Isatidine's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+367.163102'}^[7].

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Quick Facts

Instance of group of stereoisomers

Subclass of (1R,4Z,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

Properties

Canonical smiles CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C

Chemical formula C₁₈H₂₅NO₇

Isomeric smiles C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)O)C

Mass +367.163102

External References (16)

Cas registry number 15503-86-3

Chebi id 5977

Chemspider id 4445049

Dsstox compound identifier DTXCID60747

Dsstox substance id DTXSID4020747

Ec number 805-145-0

Echa substance infocard id 100.231.874

Hsdb id 3499

Inchi InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1

Inchikey IDIMIWQPUHURPV-WTWIWYCDSA-N

Kegg id C10333

Knapsack id C00002094

Pubchem cid 5281734

Surechembl id 30473053

Unichem compound id 1067078

Unii 51819GRV4U

🏷️ Also known as

en Isatidine en Retrorsine N-oxide

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

[2] ↑ Isatidine — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ Isatidine — canonical SMILES (P233): CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C. PubChem. Retrieved 2016-10-05. wikidata.org.
[4] ↑ Isatidine — chemical formula (P274): C₁₈H₂₅NO₇. PubChem. Retrieved 2016-10-05. wikidata.org.
[5] ↑ Isatidine — subclass of (P279): (1R,4Z,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione. wikidata.org.
[6] ↑ Isatidine — isomeric SMILES (P2017): C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)O)C. PubChem. Retrieved 2016-10-05. wikidata.org.
[7] ↑ Isatidine — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+367.163102'}. PubChem. Retrieved 2016-10-05. wikidata.org.

Class ancestry

[1] ↑ Isatidine is an instance of group of stereoisomers (Q59199015) [P31, primary]. Wikidata. wikidata.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). Isatidine. Retrieved May 3, 2026, from https://4ort.xyz/entity/isatidine

MLA “Isatidine.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/isatidine.

BibTeX

@misc{4ortxyz_isatidine_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{Isatidine}}, year = {2026}, url = {https://4ort.xyz/entity/isatidine}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): Isatidine — https://4ort.xyz/entity/isatidine (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/isatidine · Last refreshed: May 3, 2026

Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

12w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Dsstox substance id → DTXSID4020747

Unii → 51819GRV4U

Echa substance infocard id → 100.231.874

Imported from → —

+ 20 other properties edited (see Wikidata diff for full list)

"/* wbeditentity-update-languages-short:0||tr */ QuickStatements 3.0 [[:toollabs:qs-dev/batch/37300|batch #37300]]"

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