BPH-715

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H31NO7P2
Molecular Weight	423.3781
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCOC1=C[N+](CC(P(O)(O)=O)P(O)([O-])=O)=CC=C1

InChI

InChIKey=QYJHUOZDBUEKQC-UHFFFAOYSA-N

InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)

HIDE SMILES / InChI

Molecular Formula	C17H31NO7P2
Molecular Weight	423.3781
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

Title	Date	PubMed
Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation.	2008 Sep 25	18800762

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:35:32 GMT 2023` Edited by `admin` on `Sat Dec 16 08:35:32 GMT 2023`
Record UNII	YD43M7UAP4
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BPH-715

Common Name

English

PYRIDINIUM, 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)-, INNER SALT

Systematic Name

English

Code System Code Type Description

FDA UNII

YD43M7UAP4

Created by admin on Sat Dec 16 08:35:32 GMT 2023 , Edited by admin on Sat Dec 16 08:35:32 GMT 2023

PRIMARY

PUBCHEM

25014899

Created by admin on Sat Dec 16 08:35:32 GMT 2023 , Edited by admin on Sat Dec 16 08:35:32 GMT 2023

PRIMARY

CAS

1059677-23-4

Created by admin on Sat Dec 16 08:35:32 GMT 2023 , Edited by admin on Sat Dec 16 08:35:32 GMT 2023

PRIMARY

Related Record Type Details


					YD43M7UAP4

BPH-715

ACTIVE MOIETY