[email protected]
CAS 16679-58-6 Desmopressin molecular structure lightbox
CAS RN: 16679-58-6

Desmopressin

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250310 100mg In stock Inquiry
Batchno.20250313 25mg In stock Inquiry
Batchno.20250102 5mg In stock Inquiry
  • Product code: starshine_CAS16679-58-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

16679-58-6 / (2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

Standard CAS: 16679-58-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16679-58-6
Multi CAS
No
Molecular Formula
C46H64N14O12S2
Molecular Weight
1069.200000
Exact Mass
1068.426956
SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N
InChI
InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1
InChIKey
NFLWUMRGJYTJIN-PNIOQBSNSA-N

Computed Properties

Structural Parameters

Heavy atom count
74
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
19
H-bond acceptors
15
H-bond donors
13
Molar refractivity
272.16
TPSA
437.91

LogP / Solubility

WLOGP
-4.34
MLOGP
-3.72
XLogP3
-4
Consensus LogP
-4.02
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-12.32

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H314 (95%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (95%): May cause an allergic skin reaction [Warning Sensitization, Skin] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H334 (95%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P233, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us