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Home/Compounds/Pharmaceutical Intermediate/Tris(dihydrogen phosphate);methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-1-ium-2-yl]-1H-imidazol-1-ium-5-yl]-21-oxa-7-aza-5-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
C39H54N7O17P3
985.8 g/mol
Pharmaceutical Intermediate

Tris(dihydrogen phosphate);methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-1-ium-2-yl]-1H-imidazol-1-ium-5-yl]-21-oxa-7-aza-5-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

CAS1844064-97-6
Category
Pharmaceutical Intermediate
Compound Class
Heterocycle
Primary Use
Pharmaceutical Intermediate

This compound is a phosphate salt form of an intermediate used in the manufacture of velpatasvir, a pharmaceutical active ingredient. It features a complex polycyclic structure with multiple heterocyclic rings and ether groups, supplied as a salt for research and development purposes.

Pharmaceutical intermediate for velpatasvir manufacturingLaboratory reagent for chemical synthesis research

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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CAS 1844064-97-6

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Identifiers
IUPAC Name

tris(dihydrogen phosphate);methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-1-ium-2-yl]-1H-imidazol-1-ium-5-yl]-21-oxa-7-aza-5-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

InChIKey

XSSJOUSPZZAONW-QPLROHJZSA-N

SMILES

C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C([NH2+]2)C4=CC5=C(C=C4C=C3)C6=C(CO5)C=C(C=C6)C7=CN=C([NH2+]7)[C@@H]8C[C@@H](C[NH2+]8)COC.OP(=O)(O)[O-].OP(=O)(O)[O-].OP(=O)(O)[O-]