BENZO(A)PYRENE-7,8-DIHYDRODIOL 9,10-EPOXIDE, SYN-(+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H14O3
Molecular Weight	302.3234
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZO(A)PYRENE-7,8-DIHYDRODIOL 9,10-EPOXIDE, SYN-(+)-

Structure Search

SMILES

O[C@H]1[C@@H]2O[C@@H]2C3=C(C=C4C=CC5=C6C(C=CC3=C46)=CC=C5)[C@@H]1O

InChI

InChIKey=DQEPMTIXHXSFOR-NMLBUPMWSA-N

InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H14O3
Molecular Weight	302.3234
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:31:56 GMT 2025` Edited by `admin` on `Tue Apr 01 16:31:56 GMT 2025`
Record UNII	3AP071IXF4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZO(A)PYRENE-7,8-DIHYDRODIOL 9,10-EPOXIDE, SYN-(+)-

Common Name

English

(+)-SYN-BPDE

Preferred Name

English

BENZO(10,11)CHRYSENO(3,4-B)OXIRENE-7,8-DIOL, 7,8,8A,9A-TETRAHYDRO-, (7S,8R,8AS,9AR)-

Systematic Name

English

(7S,8R,9S,10R)-(+)-SYN-BENZO(A)PYRENE-7,8-DIOL 9,10-EPOXIDE

Common Name

English

BENZO(10,11)CHRYSENO(3,4-B)OXIRENE-7,8-DIOL, 7,8,8A,9A-TETRAHYDRO-, (7S-(7.ALPHA.,8.BETA.,8A.BETA.,9A.BETA.))-

Systematic Name

English

SYN-BENZO(A)PYRENE-7,8-DIOL-9,10-EPOXIDE, (+)-TRANS-

Common Name

English

SYN-BPDE, (+)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID701136015

Created by admin on Tue Apr 01 16:31:56 GMT 2025 , Edited by admin on Tue Apr 01 16:31:56 GMT 2025

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CAS

63323-29-5

Created by admin on Tue Apr 01 16:31:56 GMT 2025 , Edited by admin on Tue Apr 01 16:31:56 GMT 2025

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PUBCHEM

44460

Created by admin on Tue Apr 01 16:31:56 GMT 2025 , Edited by admin on Tue Apr 01 16:31:56 GMT 2025

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FDA UNII

3AP071IXF4

Created by admin on Tue Apr 01 16:31:56 GMT 2025 , Edited by admin on Tue Apr 01 16:31:56 GMT 2025

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