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CAS 1189888-77-4 Labeled d8 Desmethyl Clozapine Hydrochloride molecular structure lightbox
CAS RN: 1189888-77-4

Labeled d8 Desmethyl Clozapine Hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250212 1mg Out of stock 15 business days Inquiry
  • Product code: SSC-019210
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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: 0.001g
  • 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 1189888-77-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.001g ≥95% 0 Out of Stock Shanghai Inquiry

1189888-77-4 / 3-chloro-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

N-Desmethylclozapine | Norclozapine | Desmethylclozapine

Standard CAS: 1189888-77-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1189888-77-4
Multi CAS
Yes
Molecular Formula
C17H17ClN4
Molecular Weight
320.800000
Exact Mass
320.164388
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)([2H])[2H])[2H]
InChI
InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2/i7D2,8D2,9D2,10D2
InChIKey
JNNOSTQEZICQQP-UFBJYANTSA-N
Synonyms
N-Desmethylclozapine Norclozapine Desmethylclozapine NDMC 8-Chloro-11-(1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
91.82
TPSA
39.66

LogP / Solubility

WLOGP
3.38
MLOGP
2.99
XLogP3
2.6
Consensus LogP
2.99
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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