ASAPROL TRIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C10H7O4S.Ca.3H2O
Molecular Weight	540.574
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.[Ca++].OC1=CC=C2C=CC=CC2=C1S([O-])(=O)=O.OC3=CC=C4C=CC=CC4=C3S([O-])(=O)=O

InChI

InChIKey=QAYTXPJAHGYGKS-UHFFFAOYSA-L

InChI=1S/2C10H8O4S.Ca.3H2O/c2*11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14;;;;/h2*1-6,11H,(H,12,13,14);;3*1H2/q;;+2;;;/p-2

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	C10H7O4S
Molecular Weight	223.225
Charge	-1
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
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 `Mon Mar 31 23:33:27 GMT 2025` Edited by `admin` on `Mon Mar 31 23:33:27 GMT 2025`
Record UNII	2I24M8R2BO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASAPROL TRIHYDRATE

Common Name

English

ASAPROL TRIHYDRATE [MI]

Preferred Name

English

1-NAPHTHALENESULFONIC ACID, 2-HYDROXY-, CALCIUM SALT, HYDRATE (2:1:3)

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m1016

Created by admin on Mon Mar 31 23:33:27 GMT 2025 , Edited by admin on Mon Mar 31 23:33:27 GMT 2025

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Merck Index

CAS

5794-11-6

Created by admin on Mon Mar 31 23:33:27 GMT 2025 , Edited by admin on Mon Mar 31 23:33:27 GMT 2025

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FDA UNII

2I24M8R2BO

Created by admin on Mon Mar 31 23:33:27 GMT 2025 , Edited by admin on Mon Mar 31 23:33:27 GMT 2025

PRIMARY

PUBCHEM

73425390

Created by admin on Mon Mar 31 23:33:27 GMT 2025 , Edited by admin on Mon Mar 31 23:33:27 GMT 2025

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