AG003UAY

4070-80-8 | Sodium monostearyl fumarate

AG003UAY

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CAS Number	4070-80-8
Catalog Number	AG003UAY(AGN-PC-0ROXI2)
Chemical Name	Sodium monostearyl fumarate
IUPAC Name	sodium;(E)-4-octadecoxy-4-oxobut-2-enoate
InChI	InChI=1S/C22H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;/h18-19H,2-17,20H2,1H3,(H,23,24);/q;+1/p-1/b19-18+;
InChI Key	STFSJTPVIIDAQX-LTRPLHCISA-M
MDL Number	MFCD07782099
Molecular Formula	C22H39NaO4
Molecular Weight	390.5324
SMILES	C(C=CC(=O)[O-])(=O)OCCCCCCCCCCCCCCCCCC.[Na+]
UNII	7CV7WJK4UI
Synonyms	sodium stearyl fumarate, Sodium stearyl fumarate, Pruv, SODIUM OCTADECYL FUMARATE, 4070-80-8, UNII-7CV7WJK4UI, Sodium monostearyl fumarate, Sodium monooctadecyl fumarate, EINECS 223-781-1, 7CV7WJK4UI, Sodium stearyl fumarate [NF], Sodium monooctadecyl 2-butenedioate, (E)-, Sodium stearyl fumarate (NF), 2-Butenedioic acid (E)-, monoactadecyl ester, sodium salt, SCHEMBL25393, SCHEMBL25396, CHEMBL2107515, STFSJTPVIIDAQX-LTRPLHCISA-M, AKOS015899539, Fumaric Acid Stearyl Ester Sodium Salt, LS-3098, Fumaric Acid Octadecyl Ester Sodium Salt, SC-23231, TC-165147, S0879, sodium;(E)-4-octadecoxy-4-oxobut-2-enoate, D05876, Fumaric acid, monooctadecyl ester, sodium salt, Q27268090, NaSF, Sodium 2-octadecylfumarate, C22H40O4.Na, Sodium Stearyl Fumarate (SSF), C22-H40-O4.Na, ACN-040213, CID6435830, BC682505, fumaric acid monooctadecyl ester sodium salt, I14-11409, 2-Butenedioic acid (2E)-, monooctadecyl ester, sodium salt, 2-Butenedioic acid, (E)-, monooctadecyl ester, sodium salt, (2E)-2-Butenedioic acid monooctadecyl ester sodium salt (1:1),

Complexity	369
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	390.274604g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	390.5g/mol
Monoisotopic Mass	390.274604g/mol
Rotatable Bond Count	20
Topological Polar Surface Area	66.4Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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