BEMNIFOSBUVIR SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C24H33FN7O7P.H2O4S
Molecular Weight	1261.146
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.CNC1=NC(N)=NC2=C1N=CN2[C@@H]3O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC4=CC=CC=C4)[C@@H](O)[C@@]3(C)F.CNC5=NC(N)=NC6=C5N=CN6[C@@H]7O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC8=CC=CC=C8)[C@@H](O)[C@@]7(C)F

InChI

InChIKey=QIGYBLSWYRTXCA-NVSCJZCKSA-N

InChI=1S/2C24H33FN7O7P.H2O4S/c2*1-13(2)37-21(34)14(3)31-40(35,39-15-9-7-6-8-10-15)36-11-16-18(33)24(4,25)22(38-16)32-12-28-17-19(27-5)29-23(26)30-20(17)32;1-5(2,3)4/h2*6-10,12-14,16,18,22,33H,11H2,1-5H3,(H,31,35)(H3,26,27,29,30);(H2,1,2,3,4)/t2*14-,16+,18+,22+,24+,40-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C24H33FN7O7P
Molecular Weight	581.5337
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:22:02 GMT 2025` Edited by `admin` on `Wed Apr 02 05:22:02 GMT 2025`
Record UNII	DAI4WL7JQ6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BEMNIFOSBUVIR SULFATE

Official Name

English

L-ALANINE, N-((P(S),2'R)-2-AMINO-2'-DEOXY-2'-FLUORO-N,2'-DIMETHYL-P-PHENYL-5'-ADENYLYL)-, 1-METHYLETHYL ESTER SULFATE (2:1)

Preferred Name

English

N-((P(S),2'R)-2-AMINO-2'-DEOXY-2'-FLUORO-N,2'-DIMETHYL-P-PHENYL-5'-ADENYLYL)-L-ALANINE 1-METHYLETHYL ESTER SULFATE (2:1)

Systematic Name

English

BEMNIFOSBUVIR HEMISULFATE

Common Name

English

AT527

Code

English

BEMNIFOSBUVIR SULFATE [USAN]

Common Name

English

AT-527

Code

English

(S)-ISOPROPYL 2-((S)-(((2R,3R,4R,5R)-5-(2-AMINO-6-(METHYLAMINO)-9H-PURIN-9-YL)-4-FLUORO-3-HYDROXY-4-METHYLTETRAHYDROFURAN-2-YL)METHOXY)(PHENOXY)PHOSPHORYLAMINO)PROPANOATE SULFATE(2:1)

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C182113