AG00ABM3

186497-07-4 | Zibotentan (ZD4054)

AG00ABM3

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CAS Number	186497-07-4
Catalog Number	AG00ABM3(AGN-PC-0QFJWO)
Chemical Name	Zibotentan (ZD4054)
IUPAC Name	N-(3-methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide
InChI	InChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)
InChI Key	FJHHZXWJVIEFGJ-UHFFFAOYSA-N
MDL Number	MFCD09955343
Molecular Formula	C19H16N6O4S
Molecular Weight	424.4331
SMILES	O=S(NC1=NC=C(C)N=C1OC)(C2=CC=CN=C2C3=CC=C(C4=NN=CO4)C=C3)=O
UNII	8054MM4902
Synonyms	trans,trans-2(4-methoxyphenyl)-4-(1-3-benzodiazol-5-yl)-1-(dibutylaminocarbonylmethyl)pyrrolidine-3-carboxylic acid, ZD4054, zibotentan, Zibotentan, 186497-07-4, Zibotentan (ZD4054), ZD4054, ZD-4054, UNII-8054MM4902, Zd 4054, 2-(4-(1,3,4-oxadiazol-2-yl)phenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide, N-(3-Methoxy-5-methyl-2-pyrazinyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridinesulfonamide, N-(3-METHOXY-5-METHYLPYRAZIN-2-YL)-2-[4-(1,3,4-OXADIAZOL-2-YL)PHENYL]PYRIDINE-3-SULFONAMIDE, 8054MM4902, Zibotentan(ZD4054), Zibotentan, ZD-4054, Zibotentan [USAN:INN:JAN], Zibotentan,ZD4054, Zibotentan(ZD4054)/, Zibotentan (ZD 4054), N-(3-methoxy-5-methyl-pyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide, MLS006011121, SCHEMBL847090, Zibotentan (JAN/USAN/INN), GTPL3539, CHEMBL1628688, Zibotentan, >=98% (HPLC), CHEBI:94573, CTK4D9252, HMS3654H10, BCP02389, KS-00001CP7, Zibotentan pound ZD4054 pound(c), ZINC1491485, ABP000461, MFCD09955343, s1456, AKOS015909372, API0005352, CS-0492, SB17118, NCGC00242479-01, NCGC00242479-02, NCGC00242479-03, AN-16670, BC226080, HY-10088, SC-71677, SMR004702902, AB0000419, LS-194046, A5489, FT-0768122, SW219504-1, X7520, Z-130, D07741, W-3828, L001670, BRD-K31553034-001-01-4, I14-33339, ZD4054, 186497-07-4, 3-Pyridinesulfonamide, N-(3-methoxy-5-methylpyrazinyl)-2-(4-(1,3,4-oxadiazol-2-yl)phenyl)-, 3-Pyridinesulfonamide,N-(3-methoxy-5-methyl-2-pyrazinyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]-, N-(3-methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide., ZD4054, Zibotentan, Zibotentan (JAN/INN), Zibotentan [USAN:INN], D02HVW, cc-635, C19H16N6O4S, CID9910224, A11006, C511404, trans,trans-2(4-methoxyphenyl)-4-(1-3-benzodiazol-5-yl)-1-(dibutylaminocarbonylmethyl)pyrrolidine-3-carboxylic acid, 23713-49-7,

Complexity	654
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	424.095g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	424.435g/mol
Monoisotopic Mass	424.095g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	141A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

Lot Number