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CAS 10356-92-0 1,N-METHYL-N-NITROSOAMINO-1-DEOXY-D-GLUCITOLE molecular structure lightbox
CAS RN: 10356-92-0

1,N-METHYL-N-NITROSOAMINO-1-DEOXY-D-GLUCITOLE

Product Availability

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250816 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS10356-92-0
  • Purity/Analytical Methods: >99.0%
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10356-92-0 / N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nitrous amide

(2R,3R,4R,5S)-6-[METHYL(NITROSO)AMINO]HEXANE-1,2,3,4,5-PENTOL | (2R,3R,4R,5S)-6-(methyl(nitroso)amino)hexane-1,2,3,4,5-pentol | RefChem:397516

Standard CAS: 10356-92-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10356-92-0
Multi CAS
Yes
Molecular Formula
C7H16N2O6
Molecular Weight
224.210000
Exact Mass
224.100836
SMILES
CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)N=O
InChI
InChI=1S/C7H16N2O6/c1-9(8-15)2-4(11)6(13)7(14)5(12)3-10/h4-7,10-14H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1
InChIKey
VLGVGLCWLGEFMR-BDVNFPICSA-N
Synonyms
(2R,3R,4R,5S)-6-[METHYL(NITROSO)AMINO]HEXANE-1,2,3,4,5-PENTOL (2R,3R,4R,5S)-6-(methyl(nitroso)amino)hexane-1,2,3,4,5-pentol RefChem:397516 869-265-5 1-Deoxy-1-(N-nitrosomethylamino)-D-glucitol

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
5
Molar refractivity
49.54
TPSA
133.82

LogP / Solubility

WLOGP
-2.96
MLOGP
-2.61
XLogP3
-3
Consensus LogP
-2.86
Log S (ESOL)
1.1
Class (ESOL)
Highly soluble
Log S (Ali)
0.74
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.5
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H350 (100%): May cause cancer [Danger Carcinogenicity]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501

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