AG002I0V

189188-57-6 | Hydrazinecarboximidamide, 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-, (2Z)-2-butenedioate (1:1)

AG002I0V

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CAS Number	189188-57-6
Catalog Number	AG002I0V(AGN-PC-0QIKNW)
Chemical Name	Hydrazinecarboximidamide, 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-, (2Z)-2-butenedioate (1:1)
IUPAC Name	(Z)-but-2-enedioic acid;1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
InChI	InChI=1S/C16H23N5O.C4H4O4/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;5-3(6)1-2-4(7)8/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21);1-2H,(H,5,6)(H,7,8)/b20-11+;2-1-
InChI Key	CPDDZSSEAVLMRY-FEQFWAPWSA-N
MDL Number	MFCD04116201
Molecular Formula	C20H27N5O5
Molecular Weight	417.4589
NSC Number	760425
SMILES	COC1=CC2=C(NC=C2/C=N/NC(NCCCCC)=N)C=C1.O=C(O)/C=CC(O)=O
UNII	E5XNT3RF5A
Synonyms	5-methoxyindol-3-carboxaldehyde amino(pentylamino)methylenehydrazone hydrogen maleate, HTF 919, SDZ HTF 919, SDZ HTF-919, tegaserod, tegaserod maleate, Zelmac, Zelnorm, Tegaserod maleate, Zelnorm, Tegaserod (maleate), 189188-57-6, UNII-E5XNT3RF5A, Tegaserod, HTF-919, SDZ-HTF 919, E5XNT3RF5A, Tegaserod maleate [USAN], Tegaserod maleate (USAN), HTF 919, MLS001401406, SDZ-HTF-919, CHEBI:51044, SMR000471618, SR-05000001865, tegaserod-maleate, Tegibs 6, Hydrazinecarboximidamide, 2-((5-methoxy-1H-indol-3-yl)methylene)-N-pentyl-, (2Z)-2-butenedioate (1:1), Hydrazinecarboximidamide, 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-, (2Z)-2-butenedioate (1:1), Zelnorm (TN), AC1OCFCM, 2-[(5-Methoxy-1H-indol-3-yl)methylene]-N-pentyl-hydrazinecarboximidamide maleate, 3-(5-Methoxy-1H-indol-3-ylmethylene)-N-pentylcarbazimidamide hydrogen maleate, 2-[(5-Methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide (2Z)-2-Butenedioate, Tegaserod Hydrogen Maleate, SCHEMBL27215, SPECTRUM1505215, CHEMBL1516474, REGID_for_CID_6918369, HMS1922N11, Pharmakon1600-01505215, CCG-40062, HY-14153A, NSC760425, Tegaserod maleate, >=98% (HPLC), AKOS024458253, CS-4234, NC00269, NSC-760425, NCGC00095144-01, NCGC00095144-02, AN-15007, BC208394, SAM001246606, AB2000472, TL8001540, B7690, D02730, SR-05000001865-1, maleic acid; 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine, (Z)-but-2-enedioic acid; 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentylguanidine, Zelmac, Tegaserod maleate[USAN], D01AUI, Tegaserod [USAN:INN:BAN], SDZ HTF 919, C16H23N5O, C16H23N5O.C4H4O4, SF303, UNII-458VC51857, C16-H23-N5-O, CID6918369, CPD000471618, C16-H23-N5-O.C4-H4-O4, A11743, 145158-71-0, 2-[(5-methoxy-1h-indol-3-yl)methylene]-n-pentylhydrazinecarboximidamide,

Complexity	504
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	417.201g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	417.466g/mol
Monoisotopic Mass	417.201g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	162A^2
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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