ODALASVIR DIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C60H72N8O6.2H2O
Molecular Weight	1037.2942
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.[H][C@]12C[C@H](N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]1([H])CCCC2)C3=NC4=CC=C(C=C4N3)C5=CC6=CC=C5CCC7=CC=C(CC6)C(=C7)C8=CC=C9N=C(NC9=C8)[C@@H]%10C[C@]%11([H])CCCC[C@]%11([H])N%10C(=O)[C@@H](NC(=O)OC)C(C)C

InChI

InChIKey=HNVFJWRQGPHREH-KDRULICVSA-N

InChI=1S/C60H72N8O6.2H2O/c1-33(2)53(65-59(71)73-5)57(69)67-49-13-9-7-11-41(49)31-51(67)55-61-45-25-23-39(29-47(45)63-55)43-27-35-15-19-37(43)21-17-36-16-20-38(22-18-35)44(28-36)40-24-26-46-48(30-40)64-56(62-46)52-32-42-12-8-10-14-50(42)68(52)58(70)54(34(3)4)66-60(72)74-6;;/h15-16,19-20,23-30,33-34,41-42,49-54H,7-14,17-18,21-22,31-32H2,1-6H3,(H,61,63)(H,62,64)(H,65,71)(H,66,72);2*1H2/t41-,42-,49-,50-,51-,52-,53-,54-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C60H72N8O6
Molecular Weight	1001.2637
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:29:50 UTC 2023` Edited by `admin` on `Sat Dec 16 18:29:50 UTC 2023`
Record UNII	5PST6985SZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ODALASVIR DIHYDRATE

Common Name

English

CARBAMIC ACID, N,N'-(TRICYCLO(8.2.2.24,7)HEXADECA-4,6,10,12,13,15-HEXAENE-5,11-DIYLBIS(1H-BENZIMIDAZOLE-6,2-DIYL((2S,3AS,7AS)-OCTAHYDRO-1H-INDOLE-2,1-DIYL)((1S)-1-(1-METHYLETHYL)-2-OXO-2,1-ETHANEDIYL)))BIS-, C,C'-DIMETHYL ESTER, HYDRATE (1:2)

Systematic Name

English

Code System Code Type Description

SMS_ID

300000042551

Created by admin on Sat Dec 16 18:29:50 UTC 2023 , Edited by admin on Sat Dec 16 18:29:50 UTC 2023

PRIMARY

FDA UNII

5PST6985SZ

Created by admin on Sat Dec 16 18:29:50 UTC 2023 , Edited by admin on Sat Dec 16 18:29:50 UTC 2023

PRIMARY

PUBCHEM

140780042

Created by admin on Sat Dec 16 18:29:50 UTC 2023 , Edited by admin on Sat Dec 16 18:29:50 UTC 2023

PRIMARY

CAS

2090706-83-3

Created by admin on Sat Dec 16 18:29:50 UTC 2023 , Edited by admin on Sat Dec 16 18:29:50 UTC 2023

PRIMARY

Related Record Type Details


					OVR52K7BDW

ODALASVIR

PARENT -> SALT/SOLVATE


					OVR52K7BDW

ODALASVIR

ANHYDROUS->SOLVATE

Related Record Type Details


					OVR52K7BDW

ODALASVIR

ACTIVE MOIETY