Rocuronium Bromide Impurity 87

CAT: 1596-AR-R11296-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R11296-01Size:10 Units

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

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CAS Number

2562348-54-1

Molecular Formula

C18H26O

Molecular Weight

258.41

API Name

Rocuronium

Chemical Information

Rocuronium bromide impurity 65

CAS Number	2562348-54-1
PubChem CID	155350056
IUPAC Name	(5R,8R,9R,10S,13S,14S)-13-methyl-4,5,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Molecular Formula	C18H26O
Molecular Weight	258.4
XLogP	4.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	19
Formal Charge	0
Complexity	423

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@H]4[C@@H]3CC=CC4

InChI

InChI=1S/C18H26O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-3,12-16H,4-11H2,1H3/t12-,13-,14+,15+,16-,18-/m0/s1

InChIKey

OGAMASTWJHVWHZ-MTLKIPAASA-N

Chemical Structure

2D Structure

CAS: 2562348-54-1

CID: 155350056

Formula: C18H26O

MW: 258.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.4
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	258.198365449
Monoisotopic Mass	258.198365449
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	423
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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
AR-R11297-01	Rocuronium Bromide Impurity 7 Bromide
AR-R11305-01	Rocuronium Bromide Impurity 43 Bromide
AR-R11235-01	Rocuronium Bromide Impurity 22
AR-R11244-01	Rocuronium Bromide Impurity 24
AR-R11245-01	Rocuronium Bromide Impurity 25
AR-R11249-01	Rocuronium Bromide Impurity 30
AR-R11253-01	Rocuronium Bromide Impurity 36
AR-R11258-01	Rocuronium Bromide Impurity 41
AR-R11265-01	Rocuronium Bromide Impurity 49
AR-R11270-01	Rocuronium Bromide Impurity 56

Catalog	Name
RM-R457036-01	Rocuronium Bromide Impurity 36
RM-R457022-01	Rocuronium Bromide Impurity 22
RM-R457043-01	Rocuronium Bromide Impurity 43
RM-R457018-01	Rocuronium Bromide Impurity 18
RM-R457068-01	Rocuronium Bromide Impurity 68
RM-R457049-01	Rocuronium Bromide Impurity 49
RM-R457050-01	Rocuronium Bromide Impurity 50
RM-R457009-01	Rocuronium Bromide Impurity I
RM-R457075-01	Rocuronium Bromide Impurity 75
RM-R457074-01	Rocuronium Bromide Impurity 74