LOBAPLATIN TRIHYDRATE

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Details

Stereochemistry	MIXED
Molecular Formula	C6H14N2.C3H4O3.Pt.3H2O
Molecular Weight	451.381
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0
Stereo Comments	CYCLOBUTANE ORIENTATION RESULTS IN DIASTEREOISOMERS

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.[Pt++].C[C@H]([O-])C([O-])=O.NC[C@@H]1CC[C@H]1CN

InChI

InChIKey=QSEOVLNBIPOHLB-ISZQJSMGSA-M

InChI=1S/C6H14N2.C3H5O3.3H2O.Pt/c7-3-5-1-2-6(5)4-8;1-2(4)3(5)6;;;;/h5-6H,1-4,7-8H2;2H,1H3,(H,5,6);3*1H2;/q;-1;;;;+2/p-1/t5-,6-;2-;;;;/m00..../s1

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	Pt
Molecular Weight	195.084
Charge	2
Count

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

Molecular Formula	C3H4O3
Molecular Weight	88.0621
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C6H14N2
Molecular Weight	114.1888
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:32:50 GMT 2023` Edited by `admin` on `Fri Dec 15 15:32:50 GMT 2023`
Record UNII	8S6JUD5EJY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LOBAPLATIN TRIHYDRATE

Common Name

English

CIS-((TRANS-1,2-CYCLOBUTANDIMETHYLAMINE)-(S)-2-OXIDOPROPANOATO-PLATINUM(II)) TRIHYDRATE

Common Name

English

PLATINUM, (REL-(1R,2R)-1,2-CYCLOBUTANEDIMETHANAMINE-.KAPPA.N1,.KAPPA.N2)((2S)-2-(HYDROXY-.KAPPA.O)PROPANOATO(2-)-.KAPPA.O)-, HYDRATE (1:3), (SP-4-3)-

Systematic Name

English

Code System Code Type Description

CAS

173722-92-4

Created by admin on Fri Dec 15 15:32:50 GMT 2023 , Edited by admin on Fri Dec 15 15:32:50 GMT 2023

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PUBCHEM

53371518

Created by admin on Fri Dec 15 15:32:50 GMT 2023 , Edited by admin on Fri Dec 15 15:32:50 GMT 2023

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FDA UNII

8S6JUD5EJY

Created by admin on Fri Dec 15 15:32:50 GMT 2023 , Edited by admin on Fri Dec 15 15:32:50 GMT 2023

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LOBAPLATIN

ANHYDROUS->SOLVATE