UPIDOSIN MESYLATE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H33N3O4.CH4O3S.H2O
Molecular Weight	625.732
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of UPIDOSIN MESYLATE MONOHYDRATE

Structure Search

SMILES

O.CS(O)(=O)=O.COC1=CC=CC=C1N2CCN(CCCNC(=O)C3=CC=CC4=C3OC(=C(C)C4=O)C5=CC=CC=C5)CC2

InChI

InChIKey=PNDLRDPXNLMKBL-UHFFFAOYSA-N

InChI=1S/C31H33N3O4.CH4O3S.H2O/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2;1-5(2,3)4;/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36);1H3,(H,2,3,4);1H2

HIDE SMILES / InChI

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	C31H33N3O4
Molecular Weight	511.6114
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 `Fri Dec 15 15:33:52 UTC 2023` Edited by `admin` on `Fri Dec 15 15:33:52 UTC 2023`
Record UNII	GOJB9QU5C8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

UPIDOSIN MESYLATE MONOHYDRATE

Official Name

English

4H-1-BENZOPYRAN-8-CARBOXAMIDE, N-(3-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)PROPYL)-3-METHYL-4-OXO-2-PHENYL-, METHANESULFONATE, HYDRATE (1:1:1)

Systematic Name

English

N-(3-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)PROPYL)-3-METHYL-4-OXO-2-PHENYL-4H-1-BENZOPYRAN-8-CARBOXAMIDE MESYLATE HYDRATE

Systematic Name

English

SB-216469S

Code

English

Code System Code Type Description

CAS

171894-73-8

Created by admin on Fri Dec 15 15:33:52 UTC 2023 , Edited by admin on Fri Dec 15 15:33:52 UTC 2023

PRIMARY

PUBCHEM

22922988

Created by admin on Fri Dec 15 15:33:52 UTC 2023 , Edited by admin on Fri Dec 15 15:33:52 UTC 2023

PRIMARY

FDA UNII

GOJB9QU5C8

Created by admin on Fri Dec 15 15:33:52 UTC 2023 , Edited by admin on Fri Dec 15 15:33:52 UTC 2023

PRIMARY

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