UCSF

ZINC18089317

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 16 No

Popular Name: Isosorbide dinitrate Isosorbide dinitrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 87-33-2 , [87-33-2]

Other Names:

1,4:3, 6-Dianhydro-D-glucitol dinitrate

1,4:3,6-dianhydro-2,5-di-O-nitro-D-glucitol

1,4:3,6-Dianhydro-D-glucitol dinitrate

1,4:3,6-Dianhydro-D-glucitol dinitrate; 1,4:3,6-Dianhydrosorbitol 2,5-dinitrate; Angidil; Astridine; BiDil; C6H8N2O8; CCRIS 1910; Cardio 10; Cardis; Cardonit 40; Carvanil; Carvasin; Cedocard; Claodical; Cornilat; Coronex; Corosorbide; Corovliss; D-Glucito

1,4:3,6-Dianhydrosorbitol 2, 5-dinitrate

1,4:3,6-Dianhydrosorbitol 2,5-dinitrate

1,4:3,6-Dianhydrosorbitol 2,5-dinitrate; D-Isosorbide dinitrate; Dianhydrosorbitol 2,5-dinitrate; Dinitroisosorbide; Dinitrosorbide; Isosorbide 2,5-dinitrate; Isosorbide dinitrate; Sorbide nitrate; Sorbidnitrate

54650-95-2

59812_ALDRICH

59812_FLUKA

6659-58-1

87-33-2

87-33-2; C07456; Isosorbide dinitrate

87-33-2; D00516; Dilatrate-sr (TN); Isordil (TN); Isosorbide dinitrate (JP16/USP/INN)

87-33-2; Isosorbide dinitrate; Prestwick_81

AB00513900

AC-12153

AC1L1NIG

Angidil

Astridine

BAN

BiDil

BIDIL; HYDRALAZINE HYDROCHLORIDE; ISOSORBIDE DINITRATE; LS-187970

BPBio1_001021

BSPBio_000927

BSPBio_002080

C07456

C6H8N2O8

Cardio 10

Cardis

Cardonit 40

Carvanil

Carvasin

Carvasin; Cedocard Retard; Flindix; Isoket; Isorbid; Isordil; Nitrosorbide; Sorbidilat

CCRIS 1910

Cedocard

Cedocard Retard

CHEBI:6061

CID6883

Claodical

Cornilat

Coronex

Corosorbide

Corovliss

D-

D-Glucitol, 1,4:3,6-dianhydro-, 2,5-dinitrate

D-glucitol, 1,4:3,6-dianhydro-, dinitrate

D-Isosorbide dinitrate

D-Isosorbide dinitrate-Lactose mixture

D00516

D007548

DAP001057

DB00883

Dianhydrosorbitol 2,5-dinitrate

Dianhydrosorbitol 2,5-dinitrate;Sorbide nitrate;Sorbide, dinitrate;Sorbidnitrate

Difutrat

Dignionitrat

Dilatrate

Dilatrate SR

Dilatrate-SR

Dilatrate-sr (TN)

Diluted isosorbide dinitrate

Diniket

Dinitrate d'isosorbide

Dinitrate d'isosorbide [INN-French]

dinitrate d'isosorbide; dinitrato de isosorbida; isosorbide dinitrate; isosorbidi dinitras

Dinitrate, Isosorbide

Dinitrato de isosorbida

Dinitrato de isosorbida [INN-Spanish]

Dinitroisosorbide

Dinitrosorbide

Disorlon

DivK1c_000436

EINECS 201-740-9

Emoper

EureCor

FDA

Flindix

Frandol

Glucitol, 1,4:3, 6-dianhydro-, dinitrate,

Glucitol, 1,4:3,6-dianhydro-, dinitrate, D-

Harrical

HMS1570O09

HMS1920H15

HMS2091P05

HMS501F18

HSDB 3417

IBD 20

IDI1_000436

INN

ISD

ISDN

Ismotic

Iso Bid

Iso-Bid

Iso-Mack

Iso-Puren

IsoBid

Isochron

Isodinit

Isoket

Isoket Retard 120

Isoket retard 40

Isoket Retard-120

Isoket Retard120

Isomak R

Isorbid

Isordil

Isordil (TN)

Isordil Tembids

Isosorbide 2,5-dinitrate

Isosorbide Dinitrate

Isosorbide Dinitrate (BAN

Isosorbide Dinitrate (FDA

Isosorbide dinitrate (JP15/USP/INN)

Isosorbide dinitrate mixture with not <60% lactose, mannose, starch or calcium hydrogen phosphate [UN2907] [Flammable solid]

Isosorbide dinitrate mixture with not <60% lactose, mannose, starch or calcium hydrogen phosphate [UN2907] [Flammable solid]

Isosorbide dinitrate [USAN:INN:BAN:JAN]

Isosorbide dinitrato

Isosorbide dinitrato [DCIT]

Isosorbidi dinitras

Isosorbidi dinitras [INN-Latin]

Isosorbidi nitras

Isostat

Isotrate

JAN

KBio1_000436

KBio2_000643

KBio2_003211

KBio2_005779

KBio3_001580

KBioGR_000429

KBioSS_000643

Korodil

Langoran

Laserdil

Lomilan

LS-71376

Maycor

MFCD00599509

MFCD00868238

MLS001333561

MLS001333562

MolPort-003-666-213

Myorexon

NCGC00178830-01

NCGC00178830-02

NINDS_000436

Nitrosorbid

Nitrosorbide

Nitrosorbon

Nosim

NSC 80038

NSC80038

OR-1923

Prestwick0_000714

Prestwick1_000714

Prestwick2_000714

Prestwick3_000714

Prestwick_81

Resoidan

Rifloc Retard

Rigedal

SDM No. 40

SDM No. 50

SMR000857256

Sorate-10

Sorate-5

Sorbangil

Sorbide

Sorbide nitrate

Sorbide T.D.

Sorbide, dinitrate

Sorbidi nitras

Sorbidilat

Sorbidinitrate

Sorbidnitrate

Sorbislo

Sorbitrate

Sorbonit

Sorquad

Sorquat

SPBio_001058

SPBio_002848

SPECTRUM1500358

Spectrum2_001069

Spectrum3_000600

Spectrum4_000025

Spectrum5_001057

Spectrum_000163

SST-101

Tinidil

Titradose

TYB 3215

UN2907

UNII-IA7306519N

USAN

USAN)

USP

USP)

Vascardin

Vasodilat

Vasorbate

Xanyl

ZINC18089317

[(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.21 4.5 -7.29 0 10 0 129 236.136 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.38e-01 g/l DrugBank-approved
Therapy antianginal SMDC Pharmakon
Patent Database Links EP1502604; EP1541175; EP1552745; EP1746099; EP1785144; EP1842538; EP1889847; EP1925299; US2002115655; US2005059665; US2006009513; US2007184076; US2007190160; US2007191377; US2007202155; US2007207204; US2007208041; US2007248658; US2008207713; US2008255036 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102233-1-O Artery (cluster #1 Of 1), Other Other 420 0.56 Functional ≤ 10μM
Z50597-11-O Rattus Norvegicus (cluster #11 Of 12), Other Other 4700 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102233 Z102233 Artery 420 0.56 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 4700 0.47 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )