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Chemical structure of 7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol

GC42600

7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol

Also known as 7,8,9,10-tetrahydrobenzo[a]pyren-7-ol

7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol is a benzopyrene derivative that is activated by hepatic cytosol into electrophilic sulfuric acid esters, which are capable of forming covalent DNA adducts and inducing mutations

ChemicalCAS6272-55-5MW272.3FormulaC20H16O
CAS number
6272-55-5
Molecular weight
272.3
Formula
C20H16O
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,Ethanol： 0·2 mg/ml
InChIKey
VKUQFYXBPGXTKI-UHFFFAOYSA-N
Catalogue number
GC42600
Brand
GLPBIO
Computed properties PubChem CID 97714 · XLogP 4.9 · TPSA 20.2 Ų · H-bond donors 1
XLogP
4.9
TPSA
20.2 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
21

SMILES C1CC(C2=C(C1)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)O

Computed descriptors from PubChem (CID 97714), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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