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CAS 1070-11-7 (S,S)-N,N’-Bis(1-hydroxy-2-butyl)ethylenediamine Dihydrochloride molecular structure lightbox
CAS RN: 1070-11-7

(S,S)-N,N’-Bis(1-hydroxy-2-butyl)ethylenediamine Dihydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251224 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Chongqing, Shandong, Guangdong, Hebei Inquiry
  • Product code: ICTE1011
  • Purity/Analytical Methods: >98.0%(T)
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1070-11-7 / (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;dihydrochloride

Ethambutol dihydrochloride | Ethambutol Hydrochloride | Ethambutol HCL

Standard CAS: 1070-11-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1070-11-7
Multi CAS
Yes
Molecular Formula
C10H26Cl2N2O2
Molecular Weight
277.230000
Exact Mass
276.137134
SMILES
CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl
InChI
InChI=1S/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H/t9-,10-;;/m0../s1
InChIKey
AUAHHJJRFHRVPV-BZDVOYDHSA-N
Synonyms
Ethambutol dihydrochloride Ethambutol Hydrochloride Ethambutol HCL Dadibutol Myambutol

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
4
Molar refractivity
72.83
TPSA
64.52

LogP / Solubility

WLOGP
0.55
MLOGP
0.49
XLogP3
0.55
Consensus LogP
0.53
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-4.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H360 (95.6%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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