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CAS 1228182-46-4 ChlorproMazine-d6 Hydrochloride molecular structure lightbox
CAS RN: 1228182-46-4

ChlorproMazine-d6 Hydrochloride

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250730 1mg In stock Shanghai Inquiry
Batchno.20251023 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1228182-46-4
  • Purity/Analytical Methods: >99.0%
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1228182-46-4 / 3-(2-chlorophenothiazin-10-yl)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride

Standard CAS: 1228182-46-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1228182-46-4
Multi CAS
No
Molecular Formula
C17H20Cl2N2S
Molecular Weight
361.400000
Exact Mass
360.110086
SMILES
[2H]C([2H])([2H])N(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)C([2H])([2H])[2H].Cl
InChI
InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H/i1D3,2D3;
InChIKey
FBSMERQALIEGJT-TXHXQZCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
99.44
TPSA
6.48

LogP / Solubility

WLOGP
5.32
MLOGP
4.7
XLogP3
5.32
Consensus LogP
5.11
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H330 (97.4%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, and P501

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