phenyracillin

chemical compound

ChemicalSubstance group_of_stereoisomers Q21547181

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phenyracillin

Summary

phenyracillin is a group of stereoisomers^[1].

Key Facts

phenyracillin's instance of is recorded as group of stereoisomers^[2].
phenyracillin's canonical SMILES is recorded as CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1C(NCC(N1)C2=CC=CC=C2)C3=CC=CC=C3^[3].
phenyracillin's chemical formula is recorded as C₄₈H₅₄N₆O₈S₂^[4].
phenyracillin is a type of chemical compound^[5].
phenyracillin's isomeric SMILES is recorded as CC1(C@@HC(=O)O)C.CC1(C@@HC(=O)O)C.C1C(NCC(N1)C2=CC=CC=C2)C3=CC=CC=C3^{C@@HC(=O)O)C.CC1(C@@HC(=O)O)C.C1C(NCC(N1)C2=CC=CC=C2)C3=CC=CC=C3">[6]}.
phenyracillin's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+906.344'}^[7].

⭐ Popularity Graph

0/100 established

Quick Facts

Instance of group of stereoisomers

Subclass of chemical compound

Properties

Canonical smiles CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1C(NCC(N1)C2=CC=CC=C2)C3=CC=CC=C3

Chemical formula C₄₈H₅₄N₆O₈S₂

Isomeric smiles CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1C(NCC(N1)C2=CC=CC=C2)C3=CC=CC=C3

Mass +906.344

External References (12)

Cas registry number 7009-88-3

Chemspider id 64863

Dsstox compound identifier DTXCID701417437

Dsstox substance id DTXSID80990334

Ec number 230-290-6

Echa substance infocard id 100.027.537

Inchi InChI=1S/2C16H18N2O4S.C16H18N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,15-18H,11-12H2/t2*11-,12+,14-;/m11./s1

Inchikey IAKOCPCZBRUQBM-ANPZCEIESA-N

Pubchem cid 71845

Surechembl id 2109544

Unichem compound id 32029414

Unii 3V721R4XYY

🏷️ Also known as

en phenyracillin

References

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

Direct Wikidata claims

[2] ↑ phenyracillin — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ phenyracillin — canonical SMILES (P233): CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1C(NCC(N1)C2=CC=CC=C2)C3=CC=CC=C3. PubChem. Retrieved 2016-11-19. wikidata.org.
[4] ↑ phenyracillin — chemical formula (P274): C₄₈H₅₄N₆O₈S₂. PubChem. Retrieved 2016-11-19. wikidata.org.
[5] ↑ phenyracillin — subclass of (P279): chemical compound. wikidata.org.
[6] ↑ phenyracillin — isomeric SMILES (P2017): CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1C(NCC(N1)C2=CC=CC=C2)C3=CC=CC=C3. PubChem. Retrieved 2016-11-19. wikidata.org.
[7] ↑ phenyracillin — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+906.344'}. PubChem. Retrieved 2016-10-14. wikidata.org.

Class ancestry

[1] ↑ phenyracillin 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). phenyracillin. Retrieved May 3, 2026, from https://4ort.xyz/entity/phenyracillin

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

BibTeX

@misc{4ortxyz_phenyracillin_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{phenyracillin}}, year = {2026}, url = {https://4ort.xyz/entity/phenyracillin}, note = {Accessed: 2026-05-03}}

LLM prompt

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

Canonical URL: https://4ort.xyz/entity/phenyracillin · 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 ↗

Unii → 3V721R4XYY

Dsstox substance id → DTXSID80990334

Echa substance infocard id → 100.027.537

Imported from → —

+ 16 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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