BECLABUVIR HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H45N5O5S.ClH
Molecular Weight	696.299
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@@]12C[C@@]1(CN3C4=C(C=CC(=C4)C(=O)NS(=O)(=O)N(C)C)C(C5CCCCC5)=C3C6=C2C=C(OC)C=C6)C(=O)N7[C@H]8CC[C@@H]7CN(C)C8

InChI

InChIKey=IHXVACFNNPBRLK-OZSFMWOHSA-N

InChI=1S/C36H45N5O5S.ClH/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22;/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42);1H/t24-,25+,30-,36-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C36H45N5O5S
Molecular Weight	659.838
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:58:31 UTC 2023` Edited by `admin` on `Sat Dec 16 09:58:31 UTC 2023`
Record UNII	3KU5345YJF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BECLABUVIR HYDROCHLORIDE

Official Name

English

BECLABUVIR HYDROCHLORIDE [JAN]

Common Name

English

(4bS,5aR)-12-Cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-5a-[(3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl]-4b,5,5a,6-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-9-carboxamide monohydrochloride

Systematic Name

English

BECLABUVIR HYDROCHLORIDE [MI]

Common Name

English

BECLABUVIR HYDROCHLORIDE [USAN]

Common Name

English

CYCLOPROP(D)INDOLO(2,1-A)(2)BENZAZEPINE-9-CARBOXAMIDE, 12-CYCLOHEXYL-N-((DIMETHYLAMINO)SULFONYL)-4B,5,5A,6-TETRAHYDRO-3-METHOXY-5A-((3-METHYL-3,8-DIAZABICYCLO(3.2.1)OCT-8-YL)CARBONYL)-, HYDROCHLORIDE (1:1), (4BS,5AR)-

Systematic Name

English

BMS-791325-08

Code

English

Beclabuvir hydrochloride [WHO-DD]

Common Name

English

BMS-791325 HYDROCHLORIDE

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C281