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CAS 1085333-97-6 rac NorMetanephrine-d3 Hydrochloride molecular structure lightbox
CAS RN: 1085333-97-6

rac NorMetanephrine-d3 Hydrochloride

  • Product code: SSC-009807
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.005g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1085333-97-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.005g ≥95% 0 Out of Stock Beijing Inquiry

1085333-97-6 / 4-(2-amino-1,2,2-trideuterio-1-hydroxyethyl)-2-methoxyphenol;hydrochloride

RefChem:390762 | (+-)-Normetanephrine hydrochloride | Normetanephrine hydrochloride

Standard CAS: 1085333-97-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1085333-97-6
Multi CAS
Yes
Molecular Formula
C9H14ClNO3
Molecular Weight
222.680000
Exact Mass
222.085051
SMILES
[2H]C([2H])(C([2H])(C1=CC(=C(C=C1)O)OC)O)N.Cl
InChI
InChI=1S/C9H13NO3.ClH/c1-13-9-4-6(8(12)5-10)2-3-7(9)11;/h2-4,8,11-12H,5,10H2,1H3;1H/i5D2,8D;
InChIKey
VKFPRGQZWKTEON-IJJJTAPTSA-N
Synonyms
RefChem:390762 (+-)-Normetanephrine hydrochloride Normetanephrine hydrochloride DL-Normetanephrine hydrochloride rac Normetanephrine Hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
55.92
TPSA
75.71

LogP / Solubility

WLOGP
0.81
MLOGP
0.72
XLogP3
0.81
Consensus LogP
0.78
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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