PRANLUKAST HEMIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C27H23N5O4.H2O
Molecular Weight	981.0205
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O=C(NC1=CC=CC2=C1OC(=CC2=O)C3=NN=NN3)C4=CC=C(OCCCCC5=CC=CC=C5)C=C4.O=C(NC6=CC=CC7=C6OC(=CC7=O)C8=NN=NN8)C9=CC=C(OCCCCC%10=CC=CC=C%10)C=C9

InChI

InChIKey=MSXTUBJFNBZPGC-UHFFFAOYSA-N

InChI=1S/2C27H23N5O4.H2O/c2*33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18;/h2*1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32);1H2

HIDE SMILES / InChI

Molecular Formula	C27H23N5O4
Molecular Weight	481.5026
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 18:29:16 UTC 2023` Edited by `admin` on `Fri Dec 15 18:29:16 UTC 2023`
Record UNII	FR702N558K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PRANLUKAST HEMIHYDRATE

Common Name

English

PRANLUKAST HYDRATE [JAN]

Common Name

English

PRANLUKAST HYDRATE

Common Name

English

BENZAMIDE, N-(4-OXO-2-(2H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-8-YL)-4-(4-PHENYLBUTOXY)-, HYDRATE (2:1)

Common Name

English

Pranlukast hydrate [WHO-DD]

Common Name

English

N-(4-OXO-2-(1H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-8-YL)-P-(4-PHENYLBUTOXY)BENZAMIDE, HEMIHYDRATE

Common Name

English

SC-215745

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29712