UCSF

ZINC95619102

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2014 0 No

Popular Name: Doxycycline Doxycycline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10592-13-9 , 17086-28-1 , 24390-14-5 , 564-25-0 , 83038-87-3 , [24390-14-5] , [564-25-0] , [94088-85-4]

Other Names:

(1S,4aS,11R,11aR,12S,12aR)-3-carbamoyl-2,4a,5,7,12-pentahydroxy-N,N,11-trimethyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-1-aminium chloride; 6-desoxy-5-hydroxytetracycline hydrochloride; alpha-6-deoxy-5-hydroxytetracycline hydrochloride

cycline

10592-13-9; D07877; Doxycycline hydrochloride; Vibramycin (TN)

10592-13-9; Doxycycline hydrochloride; Prestwick_1072

2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, calcium salt (1:2), (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-; C22H24N2O8.2Ca; Doxycycline Calcium; Doxycycline Calcium

2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6R,12aS)-; 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,1

24390-14-5; D02129; DOXY; Doryx (TN); Doxycycline hyclate (USP); Doxycycline hydrochloride hydrate (JP16); Periostat (TN); Vibra-tabs (TN)

4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrate

5-hydroxy-alpha-6-deoxytetracycline; 6alpha-deoxy-5-oxytetracycline; Doxycyclin; doxycycline (anhydrous)

564-25-0; C06973; Doxycycline

83038-87-3; D03904; Doxycycline fosfatex (USAN)

Adoxa

Alti-Doxycycline

Apo-Doxy

Atridox

BAN

CHEBI:435234

CHEBI:4713; CHEBI:42135

Doryx

Doxcycline anhydrous

Doxcycline anhydrous;Doxycycline Hyclate;Doxycycline Monohydrate;Doxytetracycline

doxiciclina; doxycycline; doxycyclinum

Doxoral

Doxy 100

Doxy-Caps

Doxy-Lemmon

Doxychel

Doxychel Hyclate

Doxycin

Doxycycline (BAN

Doxycycline (FDA

Doxycycline (hydrochloride)

Doxycycline calcium

Doxycycline HCl

Doxycycline Hyclate

Doxycycline hydrate

Doxycycline hydrochloride

Doxycycline Monohydrate

Doxycycline, Antibiotic for Culture Media Use Only

Doxycyclinemonohydrate

Doxylin

Doxytec

Doxytetracycline

FDA); Doxycycline HCl (JAN); Doxycycline Hyclate (FDA

GS-3065

GS-3065; AB08; DMSC

INN

Jenacyclin

Jenacyclin; Supracyclin; Vibramycin

LS-187766

MFCD01940930

MFCD02682958

MFCD03427564

MFCD06200253

Monodox

N/A

Novo-Doxylin

Nu-Doxycycline

Oracea

Periostat

Supracyclin

USAN

USAN); Doxycycline Calcium (FDA

USAN); Doxycycline Hydrochloride (JAN)

USP

USP)

USP); Doxycycline Calcium (FDA

USP); Doxycycline Fosfatex (BAN

USP); Doxycycline Hyclate (FDA

Vibra-Tabs

Vibramycin

Vibramycin-D

Vibramycine

Vibrox

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

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.30e-01 g/l DrugBank-approved
Indications antibiotic KeyOrganics Bioactives
Patent Database Links EP0970694; EP1452533; EP1602334; EP1634584; EP1666454; EP1676579; EP1712220; EP1712236; EP1716856; EP1754472; EP1815846; EP1829527; EP1829528; EP1832283; EP1891958; EP1894559; EP1902706; EP1917966; EP1935978; EP1938822; EP1941872; US2002115644; US20021651 ChEBI
UniProt Database Links GRPL2_HUMAN; MAZE_STAAE; MAZF_STAAE; RSH_BRUAB ChEBI
Target Others Selleck Chemicals

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.