Bendamustine USP Related Compound G

CAT: 1299-RM-B041302-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-B041302-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

191939-34-1

Synonyms

4- (6- (2-chloroethyl) -3-methyl-3,6,7,8-tetrahydroimidazo[4',5':5,6]benzo[1,2-b][1,4]thiazin-2-yl) butanoic acid

Molecular Formula

C16H20ClN3O2S

Molecular Weight

353.87

Target Alternative Name

Bendamustine

Product Name Synonym

4- (6- (2-chloroethyl) -3-methyl-3,6,7,8-tetrahydroimidazo[4',5':5,6]benzo[1,2-b][1,4]thiazin-2-yl) butanoic acid

Chemical Information

4-(6-(2-Chloroethyl)-3-methyl-3,6,7,8-tetrahydroimidazo(4',5':5,6)benzo(1,2-B)(1,4)thiazin-2-YL)butanoic acid

CAS Number	191939-34-1
PubChem CID	639416
IUPAC Name	4-[6-(2-chloroethyl)-3-methyl-7,8-dihydroimidazo[4,5-h][1,4]benzothiazin-2-yl]butanoic acid
Molecular Formula	C16H20ClN3O2S
Molecular Weight	353.9
XLogP	2.6
Topological Polar Surface Area	83.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	428

SMILES

CN1C2=C(C3=C(C=C2)N(CCS3)CCCl)N=C1CCCC(=O)O

InChI

InChI=1S/C16H20ClN3O2S/c1-19-11-5-6-12-16(23-10-9-20(12)8-7-17)15(11)18-13(19)3-2-4-14(21)22/h5-6H,2-4,7-10H2,1H3,(H,21,22)

InChIKey

JOUZJTKKJDXTBE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 191939-34-1

CID: 639416

Formula: C16H20ClN3O2S

MW: 353.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	353.9
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	353.0964758
Monoisotopic Mass	353.0964758
Topological Polar Surface Area	83.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	428
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-B041339-01	Bendamustine USP Related Compound A
RM-B041311-01	Bendamustine USP Related Compound B
RM-B041323-01	Bendamustine USP Related Compound D
RM-B041340-01	Bendamustine USP Related Compound C
RM-B041308-01	Bendamustine USP Related Compound F
RM-B041305-01	Bendamustine USP Related Compound E
RM-B041309-01	Bendamustine USP Related Compound H
RM-B041341-01	Bendamustine USP Related Compound I
RM-E001004-01	Ecamsule USP Related Compound G
RM-O132325-01	Omeprazole Related Compound F&G (Usp)

Catalog	Name
AR-B05476-01	Bendamustine USP Related Compound A
AR-B05474-01	Bendamustine USP Related Compound B
AR-B05473-01	Bendamustine USP Related Compound A HCl
AR-B06191-01	Bendamustine USP Related Compound E-d8
AR-B05475-01	Bendamustine USP Related Compound G HCl
AR-B06190-01	Bendamustine USP Related Compound E-d4
AR-B01145-01	Bendamustine Related Impurity 21
AR-B01126-01	Bendamustine Related Impurity 3
AR-B06187-01	Bendamustine Related Impurity 9
AR-B01131-01	Bendamustine Related Impurity 7