Carbosulfan structure, CAS 55285-14-8

Carbosulfan

CAS Number55285-14-8

Synonyms2,3-dihydro-2,2-dimethyl-7-benzofuranyl N-[(dibutylamino)thio]-N-methylcarbamate; marshall; Carbosulfan; Sheriff; MARSHAL; 2,3-dihydro-2,2-dimethylbenzofuran-7-yl (dibutylaminothio)methylcarbamate; AMITAGE; DBSC; EINECS 259-565-9; MFCD00143930; 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl [(dibutylamino)sulfanyl]methylcarbamate; Posse; Versal; BRIGHT

Molecular FormulaC20H32N2O3S

Molecular Weight380.54

Purity98%

Density1.1±0.1 g/cm3

Boiling Point462.5±55.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancesticky brown liquid

EINECS259-565-9

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9009588 Purity: 98%
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Quality Control of [ 55285-14-8 ] Purity: 98% SDS Specification MoL

Chemical & Physical Properties
CAS Number55285-14-8
Catalog No.2A-9009588
Chinese Name丁硫克百威溶液
Synonyms2,3-dihydro-2,2-dimethyl-7-benzofuranyl N-[(dibutylamino)thio]-N-methylcarbamate; marshall; Carbosulfan; Sheriff; MARSHAL; 2,3-dihydro-2,2-dimethylbenzofuran-7-yl (dibutylaminothio)methylcarbamate; AMITAGE; DBSC; EINECS 259-565-9; MFCD00143930; 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl [(dibutylamino)sulfanyl]methylcarbamate; Posse; Versal; BRIGHT
Molecular FormulaC20H32N2O3S
Molecular Weight380.54
Purity98
Density1.1±0.1 g/cm3
Boiling Point462.5±55.0 °C at 760 mmHg
Appearancesticky brown liquid
Storage ConditionSealed, stored at 0-6ºC
PackagingIII
ApplicationCarbosulfan potently inhibits CYP3A4 and moderately inhibits CYP1A1/2 and CYP2C19.
EINECS259-565-9
PubChem ID329753950
MDL NumberMFCD00128058
SMILESCCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12
InChI1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3
InChI KeyJLQUFIHWVLZVTJ-UHFFFAOYSA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard Symbols6.1(b)
MSDSmsds/9588_1_55285_14_8.pdf
BioactivityCarbosulfan inhibited relatively potently CYP3A4 and moderately CYP1A1/2 and CYP2C19 in pooled HLM (human livers). Carbosulfan activation is predominantly catalyzed in humans by CYP3A4. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Research Areas >> Infection References [1]. Abass K, et al. Metabolism of carbosulfan II. Human interindividual variability in its in vitro hepatic biotransformation and the identification of the cytochrome P450 isoforms involved. Chem Biol Interact. 2010 May 14;185(3):163-173. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 462.5±55.0 °C at 760 mmHg Molecular Formula C20H32N2O3S Molecular Weight 380.545 Flash Point 233.5±31.5 °C Exact Mass 380.213348 PSA 67.31000 LogP 6.05 Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.540 InChIKey JLQUFIHWVLZVTJ-UHFFFAOYSA-N SMILES CCCCN(CCCC)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2
Use ofProperties Name carbosulfan Synonym More Synonyms Carbosulfan Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Research Areas >> Infection References [1]. Abass K, et al. Metabolism of carbosulfan II. Human interindividual variability in its in vitro hepatic biotransformation and the identification of the cytochrome P450 isoforms involved. Chem Biol Interact. 2010 May 14;185(3):163-173. Chemical & Physical Properties Molecular Formula C20H32N2O3S Exact Mass 380.213348 PSA 67.31000 Index of Refraction 1.540 InChIKey JLQUFIHWVLZVTJ-UHFFFAOYSA-N
Transport InfoProduct name: Carbosulfan solution
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