ENCEQUIDAR MESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C38H36N6O7.CH4O3S.H2O
Molecular Weight	802.849
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CS(O)(=O)=O.COC1=CC(NC(=O)C2=CC(=O)C3=CC=CC=C3O2)=C(C=C1OC)C4=NN(N=N4)C5=CC=C(CCN6CCC7=CC(OC)=C(OC)C=C7C6)C=C5

InChI

InChIKey=DGJLRUWQERZYGC-UHFFFAOYSA-N

InChI=1S/C38H36N6O7.CH4O3S.H2O/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36;1-5(2,3)4;/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46);1H3,(H,2,3,4);1H2

HIDE SMILES / InChI

Molecular Formula	C38H36N6O7
Molecular Weight	688.7284
Charge	0
Count

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

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:28:49 UTC 2023` Edited by `admin` on `Sat Dec 16 08:28:49 UTC 2023`
Record UNII	XRZ6538A8R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENCEQUIDAR MESYLATE

Official Name

English

HM-30181 METHANESULFONATE MONOHYDRATE

Code

English

HM30181 METHANESULFONATE MONOHYDRATE

Code

English

ENCEQUIDAR MESYLATE [USAN]

Common Name

English

ORAXOL COMPONENT HM-30181A

Common Name

English

HM-30181A

Code

English

ENCEQUIDAR MESYLATE MONOHYDRATE

Common Name

English

HM30181A

Code

English

HM-30181 MESYLATE MONOHYDRATE

Code

English

4H-1-BENZOPYRAN-2-CARBOXAMIDE, N-(2-(2-(4-(2-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)ETHYL)PHENYL)-2H-TETRAZOL-5-YL)-4,5-DIMETHOXYPHENYL)-4-OXO-, METHANESULFONATE, HYDRATE (1:1:1)

Systematic Name

English

Code System Code Type Description

CAS

2097125-58-9