BDD

BROMO-DODECANOL

Created:	2002-11-26
Last modified:	2011-06-04

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2 entries where BDD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	0

2D diagram of BDD

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Chemical Component Summary
Name	BROMO-DODECANOL
Systematic Name (OpenEye OEToolkits)	12-bromododecan-1-ol
Formula	C₁₂ H₂₅ Br O
Molecular Weight	265.23
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	BrCCCCCCCCCCCCO
SMILES	CACTVS	3.341	OCCCCCCCCCCCCBr
SMILES	OpenEye OEToolkits	1.5.0	C(CCCCCCBr)CCCCCO
Canonical SMILES	CACTVS	3.341	OCCCCCCCCCCCCBr
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CCCCCCBr)CCCCCO
InChI	InChI	1.03	InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2
InChIKey	InChI	1.03	ASIDMJNTHJYVQJ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB02619
Name	12-Bromo-1-dodecanol
Groups	experimental
Synonyms	12-Bromo-1-dodecanol
CAS number	3344-77-2

Related Resource References

Resource Name	Reference
PubChem	137895
ChEMBL	CHEMBL1231267

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.