EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Salt-form
UNII	N04867Y76N

Keyword(s):

Drinking Water Chemicals

Molecule Category

Salt-form

UNII

N04867Y76N


InChI Key	SBINOAIOGOUDOT-UHFFFAOYSA-K
Smiles	[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
InChI	InChI=1/C6H8O7.Bi.3H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;+3;;;/p-3/rC6H8O7.BiH3/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3/q;+3/p-3

InChI Key

SBINOAIOGOUDOT-UHFFFAOYSA-K

Smiles

[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1/C6H8O7.Bi.3H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;+3;;;/p-3/rC6H8O7.BiH3/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3/q;+3/p-3

Property Name	Value
Molecular Formula	C6H8O7.Bi
Molecular Weight	401.01
AlogP	-6.44
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	140.62
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C6H8O7.Bi

Molecular Weight

401.01

AlogP

-6.44

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

140.62

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	813-93-4
NORMAN SUSDAT
FDA SRS	N04867Y76N

Resources

Reference

CAS NUMBER

813-93-4

NORMAN SUSDAT

FDA SRS

N04867Y76N


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

BISMUTH CITRATE

Structure

Physicochemical Descriptors

Cross References