UCSF

ZINC08614810

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2007 11 Yes

Popular Name: Zoxazolamine Zoxazolamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5978-37-0 , 61-80-3 , [5978-37-0] , [61-80-3]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.99 0.02 -6.7 2 3 0 52 168.583 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 180 - 185 Acros Organics
MP 181-184° Fluorochem
MP 182 - 184 Enamine Building Blocks
MP 182...184 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled Acros Organics
Therapy muscle relaxant, antirrheumatic SMDC Pharmakon
Target Others Selleck Chemicals
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P304 + P340: IF INHALED: Remove victim Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes.; S7: Keep container tightly closed. Acros Organics
Hazard T: Toxic Acros Organics

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

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