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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H16O3
Molecular Weight 292.3285
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYLCHRYSENE-7,8-DIOL-9,10-EPOXIDE, (7S,8R,9R,10S)-

SMILES

[H][C@]12O[C@@]1([H])[C@@]([H])(O)[C@]([H])(O)C3=CC(C)=C4C5=CC=CC=C5C=CC4=C23

InChI

InChIKey=LMQWCOZFQUNBGM-HCXYKTFWSA-N
InChI=1S/C19H16O3/c1-9-8-13-15(18-19(22-18)17(21)16(13)20)12-7-6-10-4-2-3-5-11(10)14(9)12/h2-8,16-21H,1H3/t16-,17+,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H16O3
Molecular Weight 292.3285
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 Sat Dec 16 08:37:27 GMT 2023
Edited
by admin
on Sat Dec 16 08:37:27 GMT 2023
Record UNII
CXC2I96FPO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYLCHRYSENE-7,8-DIOL-9,10-EPOXIDE, (7S,8R,9R,10S)-
Common Name English
CHRYSENO(3,4-B)OXIRENE-1,2-DIOL, 1,2,2A,3A-TETRAHYDRO-10-METHYL-, (1R-(1.ALPHA.,2.BETA.,2A.ALPHA.,3A.ALPHA.))-
Systematic Name English
CHRYSENE-1,2-DIOL, 1,2,3,4-TETRAHYDRO-3,4-EPOXY-11-METHYL-, (1R-(1-.ALPHA.,2-.BETA.,3-.BETA.,4-.BETA.))-
Systematic Name English
5-METHYLCHRYSENE-7S,8R-DIOL-9R,10S-EPOXIDE
Common Name English
Code System Code Type Description
FDA UNII
CXC2I96FPO
Created by admin on Sat Dec 16 08:37:27 GMT 2023 , Edited by admin on Sat Dec 16 08:37:27 GMT 2023
PRIMARY
PUBCHEM
159535
Created by admin on Sat Dec 16 08:37:27 GMT 2023 , Edited by admin on Sat Dec 16 08:37:27 GMT 2023
PRIMARY
CAS
111901-41-8
Created by admin on Sat Dec 16 08:37:27 GMT 2023 , Edited by admin on Sat Dec 16 08:37:27 GMT 2023
PRIMARY