Name: FrovatriptanSuccinate
SKU: 158930-09-7

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Basic Information

Molecular Structure:
CAS No.:	158930-09-7
Name:	FrovatriptanSuccinate

Formula:	C₁₈H₂₃N₃O₅
Molecular Weight:	361.3923
Synonyms:	Butanedioic acid, compd. with (3R)-2,3,4,9-tetrahydro-3-(methylamino)-1H-carbazole-6-carboxamide (1:1);1H-Carbazole-6-carboxamide, 2,3,4,9-tetrahydro-3-(methylamino)-, (R)-, butanedioate (1:1);VML 251;1H-Carbazole-6-carboxamide, 2,3,4,9-tetrahydro-3-(methylamino)-, (3R)-, butanedioate (1:1);SB-209509ax;Butanedioic acid,compounds,compd. with (3R)-2,3,4,9-tetrahydro-3-(methylamino)-1Hcarbazole- 6-carboxamide (1:1);
Boiling Point:	515.2 °C at 760mmHg
Flash Point:	265.4 °C
PSA:	146.50000
LogP:	2.55440

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Specification

The Frovatriptan succinate is an organic compound with the formula C18H23N3O5. The IUPAC name of Frovatriptan succinate is butanedioic acid;(6R)-6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide. With the CAS registry number 158930-09-7, it is also named as 1H-Carbazole-6-carboxamide, 2,3,4,9-tetrahydro-3-(methylamino)-, (3R)-, butanedioate (1:1).

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 5; (2)H-Bond Acceptor: 6; (3)Rotatable Bond Count: 5; (4)Tautomer Count: 5; (5)Exact Mass: 361.163771; (6)MonoIsotopic Mass: 361.163771; (7)Topological Polar Surface Area: 146; (8)Heavy Atom Count: 26; (9)Formal Charge: 0; (10)Complexity: 426; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 1; (13)Undefined Bond StereoCenter Count: 0; (14)Covalently-Bonded Unit Count: 2.

People can use the following data to convert to the molecule structure.
1. Smiles:C1[C@H](Cc2c(C1)[nH]c1c2cc(cc1)C(=O)N)NC.C(=O)(O)CCC(O)=O
2. InChI:InChI=1/C14H17N3O.C4H6O4/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13;5-3(6)1-2-4(7)8/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18);1-2H2,(H,5,6)(H,7,8)/t9-;/m1./s1