UCSF

ZINC14879972

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 42 No

Popular Name: Tigecycline Tigecycline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 220620-09-7 , [220620-09-7]

Other Names:

(4S,12aS)-4,7-Bis(dimethylamino)-9-{2-[(tert-butyl)amino]acetylamino}-3,10,12,12a-tetrahydroxy-1,11-dioxo-4,5,6,12a,4a,5a-hexahydronaphthacene-2-carboxamide

(4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide

(4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

cycline

121GE002

2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-9-((((1,1-dimethylethyl)amino)acetyl)amino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-

220620-09-7

220620-09-7; D01079; Tigecycline (JAN/USAN); Tygacil (TN)

9-t-Butylglycylamido minocycline

9-t-Butylglycylamido-minocycline hydrate

AC-1798

AC1NQZEU

C12012

CHEBI:149836

CHEBI:29696; CHEBI:473970

CHEMBL1212946

CHEMBL376140

CID5282044

D01079

DAP000880

DB00560

FDA

GAR 936

GAR-936

GAR-936,Tigecycline

GAR-936;GAR-936,Tigecycline;WAY-GAR-936

INN

LS-186580

LS-187002

LS-187782

N-[(5aR,6aS,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-2-(tert-butylamino)acetamide

S1403_Selleck

TBG-MINO

Tigecyclin

Tigecycline (FDA

Tigecycline (INN

Tigecycline (JAN/USAN)

Tigecycline [USAN]

Tigecycline, Antibiotic for Culture Media Use Only

Tigilcycline

Tygacil

Tygacil (TN)

Tygacil(TM)

Tygacil, GAR-936, WAY-GAR-936, TBG-MINO, Tigecycline

UNII-70JE2N95KR

USAN)

WAY-GAR-936

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) 0.01 3.71 -88.7 9 13 1 214 586.666 7 ↓
Ref Reference (pH 7) 0.46 4.92 -106.97 8 13 0 217 585.658 7 ↓
Hi High (pH 8-9.5) 0.01 2.8 -148.4 7 13 -1 216 584.65 7 ↓
Mid Mid (pH 6-8) -0.72 0.3 -52.06 9 13 1 210 586.666 6 ↓
Mid Mid (pH 6-8) 0.01 1.65 -81.79 8 13 0 213 585.658 7 ↓
Mid Mid (pH 6-8) 0.46 3.01 -129.12 7 13 -1 216 584.65 7 ↓
Mid Mid (pH 6-8) 0.01 4.91 -134.72 8 13 0 217 585.658 7 ↓
Lo Low (pH 4.5-6) -0.72 2.18 -90.53 10 13 2 212 587.674 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.50e-01 g/l DrugBank-approved
UniProt Database Links MEPA_STAAN ChEBI

Activity (Go SEA)

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

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