STRONTIUM RANELATE HEPTAHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H6N2O8S.2Sr.7H2O
Molecular Weight	639.6
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of STRONTIUM RANELATE HEPTAHYDRATE

Structure Search

SMILES

O.O.O.O.O.O.O.[Sr++].[Sr++].[O-]C(=O)CN(CC([O-])=O)C1=C(C#N)C(CC([O-])=O)=C(S1)C([O-])=O

InChI

InChIKey=BHMMKFQLHGVSRL-UHFFFAOYSA-J

InChI=1S/C12H10N2O8S.7H2O.2Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;;;;;;;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);7*1H2;;/q;;;;;;;;2*+2/p-4

HIDE SMILES / InChI

Molecular Formula	C12H10N2O8S
Molecular Weight	342.281
Charge	0
Count

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

Molecular Formula	Sr
Molecular Weight	87.62
Charge	2
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 09:30:18 UTC 2023` Edited by `admin` on `Sat Dec 16 09:30:18 UTC 2023`
Record UNII	391RT5Q293
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

STRONTIUM RANELATE HEPTAHYDRATE

Common Name

English

3-THIOPHENEACETIC ACID, 5-(BIS(CARBOXYMETHYL)AMINO)-2-CARBOXY-4-CYANO-, STRONTIUM SALT, HYDRATE (1:2:7)

Systematic Name

English

Code System Code Type Description

PUBCHEM

24871329