Hydroxocobalamin acetate

group of stereoisomers with the chemical formula C₆₄H₉₁CoN₁₃O₁₆P

ChemicalSubstance group_of_stereoisomers Q72483029

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Hydroxocobalamin acetate

Summary

Hydroxocobalamin acetate is a group of stereoisomers^[1].

Key Facts

Hydroxocobalamin acetate's instance of is recorded as group of stereoisomers^[2].
Hydroxocobalamin acetate's CAS Registry Number is recorded as 22465-48-1^[3].
Hydroxocobalamin acetate's EC number is recorded as 245-019-7^[4].
Hydroxocobalamin acetate's canonical SMILES is recorded as CC(=O)O.CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)OC1C(CO)OC([n+]6c[nH]c7cc(C)c(C)cc76)C1O)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].[Co+2]^[5].
Hydroxocobalamin acetate's InChI is recorded as InChI=1S/C62H90N13O14P.C2H4O2.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2(3)4;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3,(H,3,4);/q;;+2/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1^[6].
Hydroxocobalamin acetate's InChIKey is recorded as QHSPIHUMLGFPKX-WYVZQNDMSA-L^[7].
Hydroxocobalamin acetate's chemical formula is recorded as C₆₄H₉₁CoN₁₃O₁₆P^[8].
Hydroxocobalamin acetate's subclass of is recorded as chemical compound^[9].
Hydroxocobalamin acetate's PubChem CID is recorded as 177864962^[10].
Hydroxocobalamin acetate's isomeric SMILES is recorded as CC(=O)O.CC1=C2N=C(C=C3N=C(C(C)=C4NC@@([C@@H]5N=C1C@(CCC(O)=NCC(C)OP(=O)(O)O[C@H]1C@@H C@@HO[C@@H]1CO)[C@H]5CC(=N)O)C@@(CC(=N)O)[C@@H]4CCC(=N)[O-])C@@(CC(=N)O)[C@@H]3CCC(=N)[O-])C(C)(C)[C@@H]2CCC(=N)[O-].[Co+2]^{C@@([C@@H]5N=C1C@(CCC(O)=NCC(C)OP(=O)(O)O[C@H]1C@@HC@@HO[C@@H]1CO)[C@H">[11]}.
Hydroxocobalamin acetate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+1388.5854554939997'}^[12].
Hydroxocobalamin acetate's ECHA Substance Infocard ID is recorded as 100.040.911^[13].
Hydroxocobalamin acetate's DSSTox substance ID is recorded as DTXSID8046901^[14].
Hydroxocobalamin acetate's DSSTOX compound identifier is recorded as DTXCID6026901^[15].

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Quick Facts

Instance of group of stereoisomers

Subclass of chemical compound

Properties

Canonical smiles CC(=O)O.CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)OC1C(CO)OC([n+]6c[nH]c7cc(C)c(C)cc76)C1O)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].[Co+2]

Chemical formula C₆₄H₉₁CoN₁₃O₁₆P

Has active ingredient Hydroxocobalamin Acetate

Imported from wholeness_audit_2026-05-02

Isomeric smiles CC(=O)O.CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(O)=NCC(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)[C@H]5CC(=N)O)[C@@](C)(CC(=N)O)[C@@H]4CCC(=N)[O-])[C@@](C)(CC(=N)O)[C@@H]3CCC(=N)[O-])C(C)(C)[C@@H]2CCC(=N)[O-].[Co+2]

Mass unit: www.wikidata.org, amount: +1388.5854554939997

External References (9)

Cas registry number 22465-48-1

Dsstox compound identifier DTXCID6026901

Dsstox substance id DTXSID8046901

Ec number 245-019-7

Echa substance infocard id 100.040.911

Inchi InChI=1S/C62H90N13O14P.C2H4O2.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2(3)4;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3,(H,3,4);/q;;+2/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1

Inchikey QHSPIHUMLGFPKX-WYVZQNDMSA-L

National drug code 50396-7900, 61281-9700, 82298-920, 43225-1005

Pubchem cid 177864962

🏷️ Also known as

en Hydroxocobalamin acetate fr acétate d'hydroxocobalamine

References

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

Direct Wikidata claims

Class ancestry

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

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4ort.xyz Knowledge Graph. (2026). Hydroxocobalamin acetate. Retrieved May 3, 2026, from https://4ort.xyz/entity/hydroxocobalamin-acetate

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“Hydroxocobalamin acetate.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/hydroxocobalamin-acetate.

BibTeX

@misc{4ortxyz_hydroxocobalamin-acetate_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{Hydroxocobalamin acetate}}, year = {2026}, url = {https://4ort.xyz/entity/hydroxocobalamin-acetate}, note = {Accessed: 2026-05-03}}

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