ALDRINDIOL, TRANS-

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H10Cl6O2
Molecular Weight	398.925
Optical Activity	( + / - )
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@H]3C[C@H]([C@H](O)[C@H]3O)[C@@]1([H])[C@@]4(Cl)C(Cl)=C(Cl)[C@]2(Cl)C4(Cl)Cl

InChI

InChIKey=NWRDBJRTQVHAKR-FLSPZHGBSA-N

InChI=1S/C12H10Cl6O2/c13-8-9(14)11(16)5-3-1-2(6(19)7(3)20)4(5)10(8,15)12(11,17)18/h2-7,19-20H,1H2/t2-,3+,4+,5-,6-,7-,10+,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C12H10Cl6O2
Molecular Weight	398.925
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:23:08 GMT 2023` Edited by `admin` on `Sat Dec 16 18:23:08 GMT 2023`
Record UNII	H9AFN5YD9R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALDRINDIOL, TRANS-

Common Name

English

TRANS-ALDRINDIOL

Common Name

English

TRANS-6,7-DIHYDROXYDIHYDROALDRIN

Common Name

English

WL-40549

Code

English

1,4:5,8-DIMETHANONAPHTHALENE-2,3-DIOL, 5,6,7,8,9,9-HEXACHLORO-1,2,3,4,4A,5,8,8A-OCTAHYDRO-, (1R,2S,3S,4S,4AR,5R,8S,8AS)-REL-

Systematic Name

English

ALDRIN-TRANSDIOL

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40953167

Created by admin on Sat Dec 16 18:23:08 GMT 2023 , Edited by admin on Sat Dec 16 18:23:08 GMT 2023

PRIMARY

PUBCHEM

121492700

Created by admin on Sat Dec 16 18:23:08 GMT 2023 , Edited by admin on Sat Dec 16 18:23:08 GMT 2023

PRIMARY

FDA UNII

H9AFN5YD9R

Created by admin on Sat Dec 16 18:23:08 GMT 2023 , Edited by admin on Sat Dec 16 18:23:08 GMT 2023

PRIMARY

CAS

3106-29-4

Created by admin on Sat Dec 16 18:23:08 GMT 2023 , Edited by admin on Sat Dec 16 18:23:08 GMT 2023

PRIMARY

Related Record Type Details


					I0246D2ZS0

DIELDRIN

PARENT -> METABOLITE

Comments:

aldrin-transdiol is dieldrin metabolite suggested as active neurotoxic form

Amount: