Teno­fovir Alafe­namide Fumarate CAS 1392275-56-7

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• Prop­er­ties
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Iden­ti­fi­ca­tion

CAS Number

1392275-56-7

Name

Teno­fovir Alafe­namide Fumarate

Syn­onyms

(2E)-2-Butendis­äure -isopropyl-N-[(S)-({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)(phenoxy)phosphoryl]-L-alaninat (1:2) [Ger­man] [ACD/IUPAC Name]
1392275-56-7 [RN]
Acide (2E)-2-butène­dioïque – N-[(S)-({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}méthyl)(phénoxy)phosphoryl]-L-alaninate d’isopropyle (1:2) [French] [ACD/IUPAC Name]
GS-7340-03
Iso­propyl N-[(S)-({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)(phenoxy)phosphoryl]-L-alaninate (2E)-2-butene­dioate (2:1) [ACD/IUPAC Name]
L-Ala­­nine, N-[(S)-[(1S)-[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]phenoxyphosphinyl]-, 1-methylethyl ester, (2E)-2-butene­dioate (2:1) [ACD/​Index Name]
Teno­fovir alafe­namide fumarate [USAN]
bis{9-[(2R,5S,7E)-2,7,10-trimethyl-5,8-dioxo-5-phenoxy-3,9-dioxa-6-aza-5λ5-phosphaundecan-1-yl]-9H-purin-6-aminium} (2E)-but-2-ene­dioate ; bis{propan-2-yl N-[(S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl]-L-alaninate} (2E)-but-2-ene­dioate
GS-7340 Hemi­fu­marate
TAF
teno­fovir alafe­namide hemi­fu­marate
UNII-FWF6Q91T­ZO
Vemlidy

SMILES

C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3ccccc3.C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc3ccccc3.C(=C/C(=O)O)\C(=O)O

Std­InChI

InChI=1S/2C21H29N6O5P.C4H4O4/​c21-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27;5-3(6)1-2-4(7)8/h25-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*15-,16+,33+;/m11./s1

Std­InChIKey

SVU­JNS­G­G­PU­­CLQZ-FQQAA­­COV­­SA-N

Mol­e­c­u­lar Formula

C₄₆H₆₂N₁₂O₁₄P₂

Mol­e­c­u­lar Weight

1069.004

Prop­er­ties

Appear­ance

White to almost White crys­tal or crys­talline powder

Safe­ty Data

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Teno­fovir Alafe­namide Fumarate CAS 1392275-56-7

Iden­ti­fi­ca­tion Methods

HPLC

Assay

97.0%～102.0%

Water

≤1.0%

Residue sol­vent

Ace­toni­trile : ≤0.041 %

Relat­ed substances

PMPA

≤1.0%

PMPAAn­hy­dride

≤0.75%

PMPA Sin­gle phenyl PMPA 

≤1.0%

Unknow sin­gle impurity

≤0.15%

Total Impu­ri­ties

≤2.0%

Iso­mer

≤1.0%

Con­tent of Fumar­ic acid

9.0%～13.0%

Shelf Life

2 years

Stor­age

Under room tem­per­a­ture away from light

Known Appli­ca­tion

It is a new type of nucleotide reverse tran­scrip­tase inhibitor for the treat­ment of chron­ic hepati­tis B virus infec­tion and com­pen­sato­ry liv­er disease.

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