Pregnane-3,20-diaminium, N,N,N,N′,N′,N′-hexamethyl-, diiodide, (3β,5α,20S)-
CAS Registry Number®
10308-44-8
CAS Name
Pregnane-3,20-diaminium, N,N,N,N′,N′,N′-hexamethyl-, diiodide, (3β,5α,20S)-Molecular Formula
C27H52N2.2ICite this Page
Pregnane-3,20-diaminium, N,N,N,N′,N′,N′-hexamethyl-, diiodide, (3β,5α,20S)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=10308-44-8 (retrieved ) (CAS RN: 10308-44-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H52N2.2HI/c1-19(28(4,5)6)23-12-13-24-22-11-10-20-18-21(29(7,8)9)14-16-26(20,2)25(22)15-17-27(23,24)3;;/h19-25H,10-18H2,1-9H3;2*1H/q+2;;/p-2/t19-,20-,21-,22-,23+,24-,25-,26-,27+;;/m0../s1
InChIKey
InChIKey=ZKPCQHGEQUQGJK-DMZQXVSVSA-L
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@H]([N@+](C)(C)C)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H]([N+](C)(C)C)C)[H])[H].[I-]
Canonical SMILES
[I-].CC(C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)[N+](C)(C)C)[N+](C)(C)C
Other Names for this Substance
- Pregnane-3,20-diaminium, N,N,N,N′,N′,N′-hexamethyl-, diiodide, (3β,5α,20S)-
- Ammonium, 5α-pregnan-3β,20α-ylenebis[trimethyl-, diiodide
- 5α-Pregnan-3β,20α-ylenebis[trimethylammonium iodide]
- 5α-Pregnane, 3β,20α-bis(trimethylammonio)-, diiodide
- 3β,20α-Bisdimethylamino-5α-pregnane methiodide
