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AG007Y79

104-31-4 | Benzonatate

AG007Y79

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CAS Number	104-31-4
Catalog Number	AG007Y79(AGN-PC-0OT5XY)
Chemical Name	Benzonatate
EC Number	203-194-7
IUPAC Name	2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
InChI	InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3
InChI Key	MAFMQEKGGFWBAB-UHFFFAOYSA-N
MDL Number	MFCD00072060
Molecular Formula	C30H53NO11
Molecular Weight	603.7419
NSC Number	760128
SMILES	CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
Synonyms	benzonatate, Tessalon, Benzonatate, Benzononatine, Tessalon, 104-31-4, Benzononantin, Exangit, Ventussin, Tessalon-ciba, Ventussin-loz, Benzonatato, Benzonatatum, Tessalin, Tessalon Perles, Tesalon, Benzonatatum [INN-Latin], Benzonatato [INN-Spanish], KM65, Zonatuss, 2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)benzoate, EINECS 203-194-7, p-(n)-Butylaminobenzoesaeure-(nonaaethylenglykol-monomethylaether)-ester, Polyethyleneglycol-p-n-butylaminobenzoate methyl ester, Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester, CHEBI:3032, MAFMQEKGGFWBAB-UHFFFAOYSA-N, p-(n)-Butylaminobenzoesaeure-(nonaaethylenglykol-monomethylaether)-ester [German], Benzoic acid, 4-(butylamino)-, 2,5,8,11,14,17,20,23,26-nonaoxaoctacos-28-yl ester, Benzoic acid, p-(butylamino)-, 2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethyl ester, NCGC00016362-01, CAS-104-31-4, DSSTox_CID_2655, 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl 4-(butylamino)benzoate, DSSTox_RID_76676, DSSTox_GSID_22655, 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate, 3,6,9,12,15,18,21,24,27-Nonaoxaoctacosyl-4-butylaminobenzoate;3,6,9,12,15,18,21,24,27-Nonaoxaoctacosyl-4-butylaminobenzoate, Benzonatate [USAN:INN:BAN], Tessalon perles (TN), Benzonatate (USP/INN), UNII-5P4DHS6ENR, Benzonatat, Benzonatate [USP:INN:BAN], HSDB 7933, C30H53NO11, benzoate Benzonatato, nonaethyleneglycol monomethyl ether p-n-butylaminobenzoate, AC1L1PCL, Prestwick0_000012, Prestwick1_000012, Prestwick2_000012, Prestwick3_000012, 5P4DHS6ENR, AC1Q68HL, 4-(butylamino)benzoic acid 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester, SCHEMBL28366, BSPBio_000043, MLS002154171, SPBio_001964, BPBio1_000049, GTPL7611, CHEMBL1374379, DTXSID9022655, CTK8F7974, HMS1568C05, HMS2095C05, HMS2230M19, HMS3373I11, HMS3712C05, KM-65, p-butylaminobenzoic acid omega-O-methylnonaethyleneglycol ester, Pharmakon1600-01503864, ZINC3830276, Tox21_110398, 3,6,9,12,15,18,21,24,27-nonaoxaoctacosyl 4-butylaminobenzoate, NSC760128, 3,6,9,12,15,18,21,24,27-Nonaoxaoctacos-1-yl 4-(butylamino)benzoate, AKOS015891366, Tox21_110398_1, CCG-213706, DB00868, NSC-760128, NCGC00016362-02, NCGC00016362-03, NCGC00016362-05, 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate, BC222308, LS-36322, SMR001233469, AB00513795, FT-0622718, D00242, AB00513795_06, SR-01000841197, I01-9684, J-001145, SR-01000841197-2, Nonaethyleneglycol-p-n-butylaminobenzoate methyl ester, 3,6,9,12,15,18,21,24,27-Nonaoxaoctacos-1-yl 4-(butylamino)benzoate #, 4-(butylamino)benzoicacid3,6,9,12,15,18,21,24,27-nonaoxao-ctacos-1-ylester, Benzoic acid,4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester, benzoicacid,4-(butylamino)-,3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yles, p-(butylamino)-benzoicaci2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)e, 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-4-butylaminobenzoate, benzonatat-, Tessalon Capsules (TN), Benzonatate [BAN:INN], D0Q2ES, CID7699, AR-1H9260, C30-H53-N-O11, CS-O-00473, C029755, 104907-38-2, Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester (9CI),

Complexity	565
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	603.362g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	603.75g/mol
Monoisotopic Mass	603.362g/mol
Rotatable Bond Count	33
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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CERTIFICATE OF ANALYSIS

Chemical Name:	Batch Number:
Chemical Structure:	CAS Registry No:
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Analysis Data:

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Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited

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