UCSF

ZINC95626782

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2014 0 No

Popular Name: Oxytetracycline Oxytetracycline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15251-48-6 , 2058-46-0 , 423769-22-6 , 6153-64-6 , 79-57-2 , [6153-64-6] , [79-57-2]

Other Names:

(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride; (4S,5R,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,

(4S,5S,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride

cycline

15251-48-6; D05322; Oxytetracycline calcium (USP); Terramycin (TN)

2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4alpha,4aalpha,5alpha,5aalpha,6beta,12aalpha))-, dihydrate; 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-

2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, disodium deriv., dihydrate; C22H24N2O9; LS-93862; Oxytetracycline, disodium salt, dihydrate; Sodium terramycin

2058-46-0; D01596; OTC; Oxytetracycline hydrochloride (JP16/USP); Terramycin (TN)

5-Hydroxytetracycline; Oxyterracin; Oxyterracine; Oxytetracyclin; Oxytetracycline (anhydrous); Oxytetracycline amphoteric

6153-64-6; Oxytetracycline dihydrate; Prestwick_630

79-57-2; C06624; Oxytetracycline; Oxytetracycline anhydrous

BAN

CHEBI:521157; CHEBI:7871; CHEBI:596903; CHEBI:25811

FDA

Hi-Tet

INN

JAN

JAN); Oxytetracycline Calcium (FDA

LS-190465

MFCD00003700

MFCD00135815

MFCD00151234

MFCD12913007

Microtet

N/A

oxitetraciclina; oxytetracyclinum

OXTC

Oxytetra Selective Supplement

Oxytetracycline (BAN

Oxytetracycline anhydrous

Oxytetracycline dihydrate

Oxytetracycline dihydrate, 95%

Oxytetracycline HCl

Oxytetracycline hydrochloride

Oxytetracycline Hydrochloride (JAN

Oxytetracycline, 'can be used as secondary standard'

Oxytetracyclinehydrochloride

Terramycin

Tetraplex

USP

USP)

USP); Oxytetracycline (FDA

USP); Oxytetracycline Calcium (FDA

USP); Oxytetracycline HCl (FDA

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 1.40e+00 g/l DrugBank-approved
Mp [°C] 181 - 182 Acros Organics
Mp [°C] 183 Acros Organics
MP 211 - 213 Enamine Building Blocks
MP 211...213 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
UniProt Database Links ACPX_STRRM; OTRA_STRRM ChEBI
Patent Database Links EP1452533; EP1568369; EP1611879; EP1666454; EP1671624; EP1676579; EP1712236; EP1815846; EP1829527; EP1829528; EP1902706; EP1935978; EP1938822; EP1941872; US2003105066; US2003153537; US2004033996; US2004157807; US2005187198; US2005282787; US2006166946; US2 ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H361d: Suspected of damaging the unborn child Acros Organics
Target Others Selleck Chemicals
P phrase P281: Use personal protective equipment as required Acros Organics
P phrase P281: Use personal protective equipment as required; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and ea Acros Organics
R phrase R36: Irritating to eyes. Acros Organics
R phrase R36: Irritating to eyes.; R63: Possible risk of harm to the unborn child. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

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