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11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate

HCID 339237
NotesReactions
Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
75451-07-9
Standard SMILES
CCOC(=O)c1ccc2c(c1)NCc1cccc(OC)c1O2
InChIKey
ZKMRNPBEBOXDCJ-UHFFFAOYSA-N
Molecular formula
C17H17NO4
Average molar mass
299.32 g/mol
Monoisotopic mass
299.11575802

Overview

structure given in first source

Names & identifiers

Preferred name
11,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate
IUPAC
ethyl 10-methoxy-5,6-dihydrobenzo[b][1,4]benzoxazepine-3-carboxylate
English name
11,12-dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylate
Molecular formula
C17H17NO4
Molecular weight
299.32

Names & synonyms

75451-07-911,12-Dihydro-4-methoxydibenz(b,f)(1,4)oxazepine-8-carboxylateDTXSID60226385Dibenz(b,f)(1,4)oxazepine-8-carboxylic acid, 10,11-dihydro-4-methoxy-, ethyl esterDibenz[b,f][1,4]oxazepine-8-carboxylic acid, 10,11-dihydro-4-methoxy-, ethyl esterRefChem:77712DTXCID60148876AZ-1355ethyl 10-methoxy-5,6-dihydrobenzo[b][1,4]benzoxazepine-3-carboxylateNSC364889AZ 1355MLS000756913
Show more names
AZ1355,AZ 1355AZ-1355 (NSC 364889AZ-1355, 10 mM in DMSO
NSC 364889NSC-364889Ethyl 4-methoxy-10,11-dihydrodibenzo[b,f][1,4]oxazepine-8-carboxylateWC29TCD6Y5orb1708050CHEMBL1411983SCHEMBL11103332SCHEMBL30685495

Database identifiers

CAS
75451-07-9
PubChem CID
339237

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
56.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
389

Physicochemical properties

storage temp.
-20 °C · Store at -20°C
solubility
Soluble in DMSO
form
Solid
color
White to off-white
FDA UNII
29 TCD6Y5 · WC29TCD6Y5

Chemistry & industry

Applications

UsesAZ-1355 is an effctive lipid-lowering compound, which also inhibits platelet aggregation in vivo and elevates the prostaglandin I2/thromboxane A2 ratio in vitro.

Suppliers6 total

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]

Related reactions

3 records
New reaction record
HRID 1577985 reaction equation
HRID 1577985As productuspto-grants-1981_09
HRID 1903042 reaction equation
HRID 1903042As reactantuspto-grants-1984_03
HRID 2144509 reaction equation
HRID 2144509As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
DTXSID
DTXSID60226385
ChEMBL
CHEMBL1411983
UNII
WC29TCD6Y5
Nikkaji
J326.201D