Norbuprenorphine 3-Beta-D-Glucuronide

CAT: 0572-TRC-N661310-10MGSize: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0572-TRC-N661310-10MGSize:10 mg

Selected

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

Quick Request Actions

CAS Number

469887-29-4

Synonyms

Norbuprenorphine 3-β-D-Glucuronide

Hazard Statement

Harmful if swallowed

Smiles

CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4Cc5ccc(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)c7O[C@@H]2[C@]3(CCN4)c57

Molecular Formula

C31 H43 N O10

Molecular Weight

589.67

InChI

InChI=1S/C31H43NO10/c1-27(2,3)28(4,38)16-13-29-8-9-31(16,39-5)26-30(29)10-11-32-17(29)12-14-6-7-15(22(42-26)18(14)30)40-25-21(35)19(33)20(34)23(41-25)24(36)37/h6-7,16-17,19-21,23,25-26,32-35,38H,8-13H2,1-5H3,(H,36,37)/t16-,17-,19+,20+,21-,23+,25-,26-,28+,29-,30+,31?/m1/s1

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Norbuprenorphine 3-glucuronide

Norbuprenorphine glucuronide is a glycoside.

CAS Number	469887-29-4
PubChem CID	91800110
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,6R,14R,15R,16R)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl]oxy]oxane-2-carboxylic acid
Molecular Formula	C31H43NO10
Molecular Weight	589.7
XLogP	-0.1
Topological Polar Surface Area	167
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Heavy Atom Count	42
Formal Charge	0
Complexity	1120

SMILES

C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3CC6=C5C(=C(C=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)O4)OC)(C(C)(C)C)O

InChI

InChIKey

OOLGGESLZHGXGC-TXYLTYGDSA-N

Chemical Structure

2D Structure

CAS: 469887-29-4

CID: 91800110

Formula: C31H43NO10

MW: 589.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	589.7
XLogP3	-0.1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	589.28869657
Monoisotopic Mass	589.28869657
Topological Polar Surface Area	167 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	1120
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TRC-N661330-1MG	Norbuprenorphine Ring-closed Demethyl Dehydroxy 3-Beta-D-Glucuronide
TRC-N661325-1MG	Norbuprenorphine 5-Dehydro 5-Dehydroxy 3-Beta-D-Glucuronide
TRC-N661330-0.5MG	Norbuprenorphine Ring-closed Demethyl Dehydroxy 3-Beta-D-Glucuronide
TRC-N661325-0.5MG	Norbuprenorphine 5-Dehydro 5-Dehydroxy 3-Beta-D-Glucuronide
TRC-N661330-2.5MG	Norbuprenorphine Ring-closed Demethyl Dehydroxy 3-b-D-Glucuronide
TRC-N661325-2.5MG	Norbuprenorphine 5-Dehydro 5-Dehydroxy 3-b-D-Glucuronide
TRC-O876810-1MG	Oxymorphone 3-Beta-D-Glucuronide
TRC-N285010-1MG	Naloxone 3-Beta-D-Glucuronide
TRC-F862510-1MG	Fulvestrant 3-Beta-D-Glucuronide
TRC-M652300-100MG	Morphine 3-beta-D-Glucuronide

Alternative Products

Catalog	Name
460889-01	Norbuprenorphine 3-β-D-Glucuronide discontinued
CS-BX-00781	Norbuprenorphine glucuronide-D3
460891-01	Norbuprenorphine 5-Dehydro 5-Dehydroxy 3-β-D-Glucuronide discontinued
460893-01	Norbuprenorphine Ring-closed Demethyl Dehydroxy 3-β-D-Glucuronide discontinued
CS-TB-79121	Norbuprenorphine 3-b-D-Glucuronide (1.0mg/ml in Acetonitrile)
227097	Norbuprenorphine (Norbuprenorphine (3) ) (HRP) discontinued
460890-01	Norbuprenorphine 3-β-D-Glucuronide O-Methyl Triisobutyraldehyde N-2,2,2-Trifluoroacetaldehyde discontinued
MBS6106173-01	Norbuprenorphine(3) (HRP)
OORB00167-500UL	Norbuprenorphine (3) -HRP
FH172884	10-alpha (beta) Hydroxy-norbuprenorphine

Norbuprenorphine 3-Beta-D-Glucuronide

Chemical Information

Related Products

Alternative Products

Popular Products